N-(1-methylsulfanylpropan-2-yl)cyclopentanamine

C9H19NS — CID 115721778

IUPACN-(1-methylsulfanylpropan-2-yl)cyclopentanamine
SMILESCSCC(C)NC1CCCC1
InChIInChI=1S/C9H19NS/c1-8(7-11-2)10-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
InChIKeyKQLVZUFWJJACRB-UHFFFAOYSA-N
MW173.33 g/mol
LogP2.27
Rot. Bonds4

About N-(1-methylsulfanylpropan-2-yl)cyclopentanamine

N-(1-methylsulfanylpropan-2-yl)cyclopentanamine (PubChem CID 115721778) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is N-(1-methylsulfanylpropan-2-yl)cyclopentanamine.

Molecular Properties

Compound NameN-(1-methylsulfanylpropan-2-yl)cyclopentanamine
PubChem CID115721778
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC NameN-(1-methylsulfanylpropan-2-yl)cyclopentanamine
SMILESCSCC(C)NC1CCCC1
InChIInChI=1S/C9H19NS/c1-8(7-11-2)10-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
InChIKeyKQLVZUFWJJACRB-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448780
3,3-dimethyl-N-(1-methylsulfanylpropan-2-yl)cyclohexan-1-amine
CID 115905868
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
2-(cyclododecylamino)propan-1-ol
CID 43499740
N-(1-methylsulfanylbutan-2-yl)cyclohexanamine
CID 115901653
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
1-cyclopentyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115640204
N-(1-methylsulfanylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 115721705
N-(4-chlorobutan-2-yl)cyclopentanamine
CID 83187738
(3R)-3-(cyclopentylamino)butan-1-ol
CID 103854696
N-pentan-2-ylcyclooctanamine
CID 43079432
2-methyl-N-(1-methylsulfanylpropan-2-yl)oxan-4-amine
CID 115898487

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfanylpropan-2-yl)cyclopentanamine?
The IUPAC name of N-(1-methylsulfanylpropan-2-yl)cyclopentanamine (CID 115721778) is N-(1-methylsulfanylpropan-2-yl)cyclopentanamine.
What is the SMILES notation for N-(1-methylsulfanylpropan-2-yl)cyclopentanamine?
The canonical SMILES for N-(1-methylsulfanylpropan-2-yl)cyclopentanamine is CSCC(C)NC1CCCC1.
What is the InChIKey of N-(1-methylsulfanylpropan-2-yl)cyclopentanamine?
The InChIKey is KQLVZUFWJJACRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(7-11-2)10-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(1-methylsulfanylpropan-2-yl)cyclopentanamine?
N-(1-methylsulfanylpropan-2-yl)cyclopentanamine has a molecular weight of 173.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfanylpropan-2-yl)cyclopentanamine is sourced from PubChem (CID 115721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).