2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide

C13H21N3OS — CID 114234311

IUPAC2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C13H21N3OS/c1-2-15-12(17)8-18-11-5-6-13(7-11,9-14)16-10-3-4-10/h10-11,16H,2-8H2,1H3,(H,15,17)
InChIKeyYZQFIKHEZKYGDP-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.42
Rot. Bonds6

About 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide

2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide (PubChem CID 114234311) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide
PubChem CID114234311
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSC1CCC(C#N)(NC2CC2)C1
InChIInChI=1S/C13H21N3OS/c1-2-15-12(17)8-18-11-5-6-13(7-11,9-14)16-10-3-4-10/h10-11,16H,2-8H2,1H3,(H,15,17)
InChIKeyYZQFIKHEZKYGDP-UHFFFAOYSA-N
XLogP1.42
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-cyano-3-(ethylamino)cyclopentyl]sulfanyl-N-propylacetamide
CID 114234320
1-(cyclopropylamino)-3-(2-methylpropylsulfanyl)cyclohexane-1-carbonitrile
CID 79636467
1-(cyclopropylamino)-3-ethylcyclopentane-1-carbonitrile
CID 64513094
1-(ethylamino)-3-[2-(ethylamino)-2-oxoethyl]sulfanylcyclohexane-1-carboxylic acid
CID 114234386
1-(cyclopropylamino)-3-(2-methoxyethylsulfanyl)cyclohexane-1-carbonitrile
CID 79636237
3-[(4-chlorophenyl)methylsulfanyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 114791563
1-(cyclopropylamino)-3-(3-methylcyclohexyl)sulfanylcyclopentane-1-carbonitrile
CID 79650149
1-(cyclopropylamino)-3-[ethyl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639654
tert-butyl 3-cyano-3-(cyclopropylamino)azetidine-1-carboxylate
CID 79308445
1-(ethylamino)-3-(3-hydroxy-2-methylpropyl)sulfanylcyclopentane-1-carbonitrile
CID 79649917
1-(cyclopropylamino)-3-[cyclopropylmethyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 79639178
1-(cyclopropylamino)-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carbonitrile
CID 104603723

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide?
The IUPAC name of 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide (CID 114234311) is 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide is CCNC(=O)CSC1CCC(C#N)(NC2CC2)C1.
What is the InChIKey of 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide?
The InChIKey is YZQFIKHEZKYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-15-12(17)8-18-11-5-6-13(7-11,9-14)16-10-3-4-10/h10-11,16H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide?
2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide has a molecular weight of 267.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-3-(cyclopropylamino)cyclopentyl]sulfanyl-N-ethylacetamide is sourced from PubChem (CID 114234311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).