N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide

C14H26N2OS — CID 113343493

IUPACN-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide
SMILESCSC1CCCC1NC(=O)CCC1CCNCC1
InChIInChI=1S/C14H26N2OS/c1-18-13-4-2-3-12(13)16-14(17)6-5-11-7-9-15-10-8-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeySLALITNOAFEUFM-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.17
Rot. Bonds5

About N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide

N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide (PubChem CID 113343493) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide
PubChem CID113343493
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide
SMILESCSC1CCCC1NC(=O)CCC1CCNCC1
InChIInChI=1S/C14H26N2OS/c1-18-13-4-2-3-12(13)16-14(17)6-5-11-7-9-15-10-8-11/h11-13,15H,2-10H2,1H3,(H,16,17)
InChIKeySLALITNOAFEUFM-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-cyclopropyl-3-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]propanamide
CID 24819265
N-cyclopropyl-3-{1-[(methylthio)acetyl]-4-piperidinyl}propanamide
CID 24792133
N-cyclopropyl-3-{1-[3-(methylthio)propanoyl]-4-piperidinyl}propanamide
CID 24817520
1-cyclopentyl-N-[3-(methylthio)propyl]-6-oxo-3-piperidinecarboxamide
CID 45194130
N-(7-amino-1-methylsulfanyl-2-oxoheptan-3-yl)cyclopentanecarboxamide
CID 134356512
4-[1-(Butylcarbamoyl)cyclopentyl]-5-oxothiomorpholine-3-carboxamide
CID 135004267
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 106832150
(2S,4S)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 120622905
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-{1-[3-(methylthio)propanoyl]-4-piperidinyl}propanamide
CID 45208762
N-[2-(dimethylamino)ethyl]-3-[1-(tetrahydro-3-thienyl)-4-piperidinyl]propanamide
CID 45211862
(3S,6R)-3-Isobutyl-6-methylsulfanylmethyl-piperazin-2-one
CID 68158457
3-(2-Methylpropyl)-6-(methylsulfanylmethyl)piperazin-2-one
CID 68277211

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide (CID 113343493) is N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide is CSC1CCCC1NC(=O)CCC1CCNCC1.
What is the InChIKey of N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide?
The InChIKey is SLALITNOAFEUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-13-4-2-3-12(13)16-14(17)6-5-11-7-9-15-10-8-11/h11-13,15H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide?
N-(2-methylsulfanylcyclopentyl)-3-piperidin-4-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-(2-methylsulfanylcyclopentyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 113343493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).