N-cyclopentyl-3-methylsulfanylpropanamide

C9H17NOS — CID 60636725

IUPACN-cyclopentyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCCC1
InChIInChI=1S/C9H17NOS/c1-12-7-6-9(11)10-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyOUVTZZUXEAGVLQ-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.80
Rot. Bonds4

About N-cyclopentyl-3-methylsulfanylpropanamide

N-cyclopentyl-3-methylsulfanylpropanamide (PubChem CID 60636725) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-cyclopentyl-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methylsulfanylpropanamide
PubChem CID60636725
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-cyclopentyl-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NC1CCCC1
InChIInChI=1S/C9H17NOS/c1-12-7-6-9(11)10-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11)
InChIKeyOUVTZZUXEAGVLQ-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-cyclopropyl-3-(2-methylsulfanylethylamino)propanamide
CID 62352584
N-cyclooctylbutanamide
CID 4614062
N-cycloheptyl-2-(3-methylsulfanylpropylamino)acetamide
CID 63964270
N-[2-(aminomethyl)cyclohexyl]-3-methylsulfanylpropanamide;hydrochloride
CID 119611809
3-chloro-N-cycloheptylpropanamide
CID 5152151
4-(cycloheptylamino)-4-oxobutanoic acid
CID 2932888
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cycloheptyl-3-methoxypropanamide
CID 110839127
(2S)-2-amino-N-cyclopentyl-4-methylsulfanylbutanamide
CID 22691834
N,N'-dicyclopropylbutanediamide
CID 5225156

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methylsulfanylpropanamide?
The IUPAC name of N-cyclopentyl-3-methylsulfanylpropanamide (CID 60636725) is N-cyclopentyl-3-methylsulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-3-methylsulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-3-methylsulfanylpropanamide is CSCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-methylsulfanylpropanamide?
The InChIKey is OUVTZZUXEAGVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-12-7-6-9(11)10-8-4-2-3-5-8/h8H,2-7H2,1H3,(H,10,11).
What are the key properties of N-cyclopentyl-3-methylsulfanylpropanamide?
N-cyclopentyl-3-methylsulfanylpropanamide has a molecular weight of 187.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methylsulfanylpropanamide is sourced from PubChem (CID 60636725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).