2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide

C15H26N4OS — CID 79586391

IUPAC2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCSc1nccn1C
InChIInChI=1S/C15H26N4OS/c1-3-8-18-15(13(16)20)7-4-5-12(15)6-11-21-14-17-9-10-19(14)2/h9-10,12,18H,3-8,11H2,1-2H3,(H2,16,20)
InChIKeyPLMPUACFNYGDDH-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.93
Rot. Bonds8

About 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide

2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide (PubChem CID 79586391) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
PubChem CID79586391
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
SMILESCCCNC1(C(N)=O)CCCC1CCSc1nccn1C
InChIInChI=1S/C15H26N4OS/c1-3-8-18-15(13(16)20)7-4-5-12(15)6-11-21-14-17-9-10-19(14)2/h9-10,12,18H,3-8,11H2,1-2H3,(H2,16,20)
InChIKeyPLMPUACFNYGDDH-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentyl]methanol
CID 79581049
2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 107781978
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79572159
2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79586712
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
1-(cyclopropylamino)-2-[2-(1-methylimidazol-2-yl)sulfanylethyl]cyclopentane-1-carbonitrile
CID 79576943
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
2-[2-(2-methoxyethoxy)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79581463
2-[2-(4-chlorophenyl)sulfanylethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79588248
1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582213
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79577899

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide (CID 79586391) is 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide is CCCNC1(C(N)=O)CCCC1CCSc1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide?
The InChIKey is PLMPUACFNYGDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-3-8-18-15(13(16)20)7-4-5-12(15)6-11-21-14-17-9-10-19(14)2/h9-10,12,18H,3-8,11H2,1-2H3,(H2,16,20).
What are the key properties of 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide?
2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79586391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).