N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide

C14H26N2OS — CID 103859936

IUPACN-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
SMILESCSC1CCCC(NC(=O)CCC2CCNC2)C1
InChIInChI=1S/C14H26N2OS/c1-18-13-4-2-3-12(9-13)16-14(17)6-5-11-7-8-15-10-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyRIHRHOIEMMNEPN-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.17
Rot. Bonds5

About N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide

N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 103859936) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID103859936
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
SMILESCSC1CCCC(NC(=O)CCC2CCNC2)C1
InChIInChI=1S/C14H26N2OS/c1-18-13-4-2-3-12(9-13)16-14(17)6-5-11-7-8-15-10-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeyRIHRHOIEMMNEPN-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide
CID 103859937
N-(3,5-dimethylcyclohexyl)-3-piperidin-3-ylpropanamide
CID 64732320
N-(3-methylsulfanylcyclohexyl)-4-(propan-2-ylamino)butanamide
CID 114122906
N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide
CID 113343493
N-(3-methylcyclobutyl)-3-piperidin-4-ylpropanamide
CID 115870640
2-[2-[(3-methylsulfanylcyclohexyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104588508
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
3-amino-N-(3-methylsulfanylcyclohexyl)butanamide;hydrochloride
CID 119794960
(3S)-3-cyclohexyl-N-[(1R,3R)-3-methylsulfanylcyclohexyl]butanamide
CID 100614916
N-(1-methylpiperidin-3-yl)-3-piperidin-4-ylpropanamide
CID 62209904
N-[2-(hydroxymethyl)cyclohexyl]-3-pyrrolidin-3-ylpropanamide
CID 114178713
N-[(1R,3R)-3-methylsulfanylcyclohexyl]-3-(2,2,3,3,3-pentafluoropropoxy)propanamide
CID 99834731

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide (CID 103859936) is N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide is CSC1CCCC(NC(=O)CCC2CCNC2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is RIHRHOIEMMNEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-13-4-2-3-12(9-13)16-14(17)6-5-11-7-8-15-10-11/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide?
N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 270.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclohexyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 103859936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).