1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide

C13H20N4O2S — CID 79587868

IUPAC1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCSc1nccc(=O)[nH]1
InChIInChI=1S/C13H20N4O2S/c1-15-13(11(14)19)6-2-3-9(13)5-8-20-12-16-7-4-10(18)17-12/h4,7,9,15H,2-3,5-6,8H2,1H3,(H2,14,19)(H,16,17,18)
InChIKeyWWHBRWYWBDUQKP-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.50
Rot. Bonds6

About 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide

1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide (PubChem CID 79587868) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
PubChem CID79587868
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCSc1nccc(=O)[nH]1
InChIInChI=1S/C13H20N4O2S/c1-15-13(11(14)19)6-2-3-9(13)5-8-20-12-16-7-4-10(18)17-12/h4,7,9,15H,2-3,5-6,8H2,1H3,(H2,14,19)(H,16,17,18)
InChIKeyWWHBRWYWBDUQKP-UHFFFAOYSA-N
XLogP0.50
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582213
1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide
CID 107781838
2-[2-(2-aminocyclopentyl)ethylsulfanyl]-1H-pyrimidin-6-one
CID 79573538
2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 107781978
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106925424
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
methyl 2-[2-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79557139
2-[2-(2,5-difluorophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79587585
2-[2-(benzimidazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79572724
2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 79586391
ethyl 1-(methylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603859

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide (CID 79587868) is 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCSc1nccc(=O)[nH]1.
What is the InChIKey of 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is WWHBRWYWBDUQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-15-13(11(14)19)6-2-3-9(13)5-8-20-12-16-7-4-10(18)17-12/h4,7,9,15H,2-3,5-6,8H2,1H3,(H2,14,19)(H,16,17,18).
What are the key properties of 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide?
1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79587868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).