N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide

C19H36N2O2S — CID 89073894

IUPACN-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
SMILESC=CC(CCC1CCC(C)C1)NC(=O)CCCCNS(=O)C(C)C
InChIInChI=1S/C19H36N2O2S/c1-5-18(12-11-17-10-9-16(4)14-17)21-19(22)8-6-7-13-20-24(23)15(2)3/h5,15-18,20H,1,6-14H2,2-4H3,(H,21,22)
InChIKeyFKPVRNGVLOWDMR-UHFFFAOYSA-N
MW356.58 g/mol
LogP3.71
Rot. Bonds12

About N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide

N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide (PubChem CID 89073894) has the molecular formula C19H36N2O2S and a molecular weight of 356.58 g/mol. Its IUPAC name is N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide.

Molecular Properties

Compound NameN-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
PubChem CID89073894
Molecular FormulaC19H36N2O2S
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC NameN-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
SMILESC=CC(CCC1CCC(C)C1)NC(=O)CCCCNS(=O)C(C)C
InChIInChI=1S/C19H36N2O2S/c1-5-18(12-11-17-10-9-16(4)14-17)21-19(22)8-6-7-13-20-24(23)15(2)3/h5,15-18,20H,1,6-14H2,2-4H3,(H,21,22)
InChIKeyFKPVRNGVLOWDMR-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
The IUPAC name of N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide (CID 89073894) is N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide.
What is the SMILES notation for N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
The canonical SMILES for N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide is C=CC(CCC1CCC(C)C1)NC(=O)CCCCNS(=O)C(C)C.
What is the InChIKey of N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
The InChIKey is FKPVRNGVLOWDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2S/c1-5-18(12-11-17-10-9-16(4)14-17)21-19(22)8-6-7-13-20-24(23)15(2)3/h5,15-18,20H,1,6-14H2,2-4H3,(H,21,22).
What are the key properties of N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide has a molecular weight of 356.58 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide is sourced from PubChem (CID 89073894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).