(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide

C18H25NO4S — CID 97352107

IUPAC(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
SMILESC[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H]2CCCCS2(=O)=O)C2CC2)o1
InChIInChI=1S/C18H25NO4S/c1-12-10-15(12)16-8-7-14(23-16)11-19(13-5-6-13)18(20)17-4-2-3-9-24(17,21)22/h7-8,12-13,15,17H,2-6,9-11H2,1H3/t12-,15-,17+/m1/s1
InChIKeyZVVQZJLWFBTMPH-VMGRFDJRSA-N
MW351.47 g/mol
LogP2.86
Rot. Bonds5

About (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide

(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide (PubChem CID 97352107) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
PubChem CID97352107
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
SMILESC[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H]2CCCCS2(=O)=O)C2CC2)o1
InChIInChI=1S/C18H25NO4S/c1-12-10-15(12)16-8-7-14(23-16)11-19(13-5-6-13)18(20)17-4-2-3-9-24(17,21)22/h7-8,12-13,15,17H,2-6,9-11H2,1H3/t12-,15-,17+/m1/s1
InChIKeyZVVQZJLWFBTMPH-VMGRFDJRSA-N
XLogP2.86
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-cyclopropyl-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 124744236
1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]butanamide
CID 19244271
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 99577588
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 19244185
N-cyclopropyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 95271429
N-cyclopropyl-3-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 51079314
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94182837
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94578733
N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94450217
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenoxy)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]acetamide
CID 19244212

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide (CID 97352107) is (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide is C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H]2CCCCS2(=O)=O)C2CC2)o1.
What is the InChIKey of (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide?
The InChIKey is ZVVQZJLWFBTMPH-VMGRFDJRSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-12-10-15(12)16-8-7-14(23-16)11-19(13-5-6-13)18(20)17-4-2-3-9-24(17,21)22/h7-8,12-13,15,17H,2-6,9-11H2,1H3/t12-,15-,17+/m1/s1.
What are the key properties of (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide?
(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide is sourced from PubChem (CID 97352107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).