N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide

C19H36N2O2S — CID 70892579

IUPACN-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
SMILESCCC(C/C=C1\CCCC1C)NC(=O)CCCCNS(=O)C(C)C
InChIInChI=1S/C19H36N2O2S/c1-5-18(13-12-17-10-8-9-16(17)4)21-19(22)11-6-7-14-20-24(23)15(2)3/h12,15-16,18,20H,5-11,13-14H2,1-4H3,(H,21,22)/b17-12+
InChIKeyDVQOGDQOWUJZCA-SFQUDFHCSA-N
MW356.58 g/mol
LogP3.85
Rot. Bonds11

About N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide

N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide (PubChem CID 70892579) has the molecular formula C19H36N2O2S and a molecular weight of 356.58 g/mol. Its IUPAC name is N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide.

Molecular Properties

Compound NameN-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
PubChem CID70892579
Molecular FormulaC19H36N2O2S
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC NameN-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
SMILESCCC(C/C=C1\CCCC1C)NC(=O)CCCCNS(=O)C(C)C
InChIInChI=1S/C19H36N2O2S/c1-5-18(13-12-17-10-8-9-16(17)4)21-19(22)11-6-7-14-20-24(23)15(2)3/h12,15-16,18,20H,5-11,13-14H2,1-4H3,(H,21,22)/b17-12+
InChIKeyDVQOGDQOWUJZCA-SFQUDFHCSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 53.85
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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Related Compounds

N-cyclopentyl-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
CID 38027250
2-cyclopent-2-en-1-yl-N-{2-[(dimethylamino)sulfonyl]ethyl}acetamide
CID 56749205
N-[(1R)-4-[(5R)-3,5-dimethylpiperidin-1-yl]cyclohex-2-en-1-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892478
N-[(Z)-1-[(5S)-3,5-dimethylpiperidin-1-yl]hept-2-en-4-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 70892482
N-[(3aR)-1,2-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(tert-butylsulfinylamino)pentanamide
CID 70892607
5-(tert-butylsulfinylamino)-N-[(1S)-4-ethylcyclohex-3-en-1-yl]pentanamide
CID 70974461
5-(tert-butylsulfinylamino)-N-(5-methyl-4-propylcyclohex-3-en-1-yl)pentanamide
CID 70974482
N-(4-cyclohexylcyclohex-3-en-1-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 70974499
N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide
CID 71040377
5-(tert-butylsulfonylamino)-N-[(5R)-1,2,3-trimethyl-2,3,5,6-tetrahydro-1H-inden-5-yl]pentanamide
CID 71040479
N-[5-(3-methylcyclopentyl)pent-1-en-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide
CID 89073894
N-[(Z)-7-ethenyl-6-methylideneundec-4-en-3-yl]-5-(propan-2-ylsulfanylamino)pentanamide
CID 89153906

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
The IUPAC name of N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide (CID 70892579) is N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide.
What is the SMILES notation for N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
The canonical SMILES for N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide is CCC(C/C=C1\CCCC1C)NC(=O)CCCCNS(=O)C(C)C.
What is the InChIKey of N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
The InChIKey is DVQOGDQOWUJZCA-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H36N2O2S/c1-5-18(13-12-17-10-8-9-16(17)4)21-19(22)11-6-7-14-20-24(23)15(2)3/h12,15-16,18,20H,5-11,13-14H2,1-4H3,(H,21,22)/b17-12+.
What are the key properties of N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide?
N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide has a molecular weight of 356.58 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-(2-methylcyclopentylidene)pentan-3-yl]-5-(propan-2-ylsulfinylamino)pentanamide is sourced from PubChem (CID 70892579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).