N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide

C15H27NO3S2 — CID 124735827

IUPACN-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide
SMILESCC[C@H](C)[C@@H](C)N(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C15H27NO3S2/c1-4-11(2)12(3)16(13-5-6-13)15(17)9-20-14-7-8-21(18,19)10-14/h11-14H,4-10H2,1-3H3/t11-,12+,14-/m0/s1
InChIKeyNWVDFGDGVYUNBE-SCRDCRAPSA-N
MW333.52 g/mol
LogP2.33
Rot. Bonds7

About N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide

N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide (PubChem CID 124735827) has the molecular formula C15H27NO3S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide
PubChem CID124735827
Molecular FormulaC15H27NO3S2
Molecular Weight333.52 g/mol
Exact Mass333.14
IUPAC NameN-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide
SMILESCC[C@H](C)[C@@H](C)N(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C15H27NO3S2/c1-4-11(2)12(3)16(13-5-6-13)15(17)9-20-14-7-8-21(18,19)10-14/h11-14H,4-10H2,1-3H3/t11-,12+,14-/m0/s1
InChIKeyNWVDFGDGVYUNBE-SCRDCRAPSA-N
XLogP2.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide with MolForge

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Related Compounds

ethyl 2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 78912204
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylacetamide
CID 113476121
3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
CID 119319725
2-(1,1-dioxothiolan-3-yl)sulfanylacetate
CID 3094616
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-methylacetamide
CID 47116316
methyl 4-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-methylamino]butanoate
CID 60714276
methyl 2-[[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]-3-methylbutanoate
CID 43406890
2-[(2-amino-2-oxoethyl)-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]amino]acetic acid
CID 107434308
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-methylacetamide
CID 52530451
N-tert-butyl-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 60666980
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108411

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide (CID 124735827) is N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide is CC[C@H](C)[C@@H](C)N(C(=O)CS[C@H]1CCS(=O)(=O)C1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide?
The InChIKey is NWVDFGDGVYUNBE-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H27NO3S2/c1-4-11(2)12(3)16(13-5-6-13)15(17)9-20-14-7-8-21(18,19)10-14/h11-14H,4-10H2,1-3H3/t11-,12+,14-/m0/s1.
What are the key properties of N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide?
N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide has a molecular weight of 333.52 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanyl-N-[(2R,3S)-3-methylpentan-2-yl]acetamide is sourced from PubChem (CID 124735827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).