N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide

C16H26N2O3S — CID 52502100

IUPACN-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
SMILESC[C@@H]1C[C@H]1c1ccc(CN(CCCNS(C)(=O)=O)C2CC2)o1
InChIInChI=1S/C16H26N2O3S/c1-12-10-15(12)16-7-6-14(21-16)11-18(13-4-5-13)9-3-8-17-22(2,19)20/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyNYLYRAHGUJPWEB-IUODEOHRSA-N
MW326.46 g/mol
LogP2.31
Rot. Bonds9

About N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide

N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide (PubChem CID 52502100) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
PubChem CID52502100
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide
SMILESC[C@@H]1C[C@H]1c1ccc(CN(CCCNS(C)(=O)=O)C2CC2)o1
InChIInChI=1S/C16H26N2O3S/c1-12-10-15(12)16-7-6-14(21-16)11-18(13-4-5-13)9-3-8-17-22(2,19)20/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3/t12-,15-/m1/s1
InChIKeyNYLYRAHGUJPWEB-IUODEOHRSA-N
XLogP2.31
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide (CID 52502100) is N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide is C[C@@H]1C[C@H]1c1ccc(CN(CCCNS(C)(=O)=O)C2CC2)o1.
What is the InChIKey of N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide?
The InChIKey is NYLYRAHGUJPWEB-IUODEOHRSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12-10-15(12)16-7-6-14(21-16)11-18(13-4-5-13)9-3-8-17-22(2,19)20/h6-7,12-13,15,17H,3-5,8-11H2,1-2H3/t12-,15-/m1/s1.
What are the key properties of N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide?
N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propyl]methanesulfonamide is sourced from PubChem (CID 52502100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).