(1-cyclopentylsulfanylcyclopropyl)methanamine

C9H17NS — CID 65139002

IUPAC(1-cyclopentylsulfanylcyclopropyl)methanamine
SMILESNCC1(SC2CCCC2)CC1
InChIInChI=1S/C9H17NS/c10-7-9(5-6-9)11-8-3-1-2-4-8/h8H,1-7,10H2
InChIKeyPGHWULJZURQAOV-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.15
Rot. Bonds3

About (1-cyclopentylsulfanylcyclopropyl)methanamine

(1-cyclopentylsulfanylcyclopropyl)methanamine (PubChem CID 65139002) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (1-cyclopentylsulfanylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-cyclopentylsulfanylcyclopropyl)methanamine
PubChem CID65139002
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(1-cyclopentylsulfanylcyclopropyl)methanamine
SMILESNCC1(SC2CCCC2)CC1
InChIInChI=1S/C9H17NS/c10-7-9(5-6-9)11-8-3-1-2-4-8/h8H,1-7,10H2
InChIKeyPGHWULJZURQAOV-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexylsulfanylcyclopentyl)methanamine
CID 65139467
(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine
CID 65139414
(3-cyclohexylsulfanyloxetan-3-yl)methanamine
CID 117035318
(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine
CID 66431153
(1-cyclopentylsulfanyl-3-phenylcyclobutyl)methanamine
CID 65138945
cyclohexylsulfanylmethanamine
CID 18729999
(1-ethylsulfanylcyclopropyl)methanamine
CID 65130659
2-cyclopentylsulfanylethanamine
CID 23401603
1-cyclopentylsulfanylcyclopropane-1-carboxylic acid
CID 65141741
ethyl 1-cyclohexylsulfanylcyclobutane-1-carboxylate
CID 58287574
1-cyclohexylsulfanylcyclohexane-1-carbonitrile
CID 65139562
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylsulfanylcyclopropyl)methanamine?
The IUPAC name of (1-cyclopentylsulfanylcyclopropyl)methanamine (CID 65139002) is (1-cyclopentylsulfanylcyclopropyl)methanamine.
What is the SMILES notation for (1-cyclopentylsulfanylcyclopropyl)methanamine?
The canonical SMILES for (1-cyclopentylsulfanylcyclopropyl)methanamine is NCC1(SC2CCCC2)CC1.
What is the InChIKey of (1-cyclopentylsulfanylcyclopropyl)methanamine?
The InChIKey is PGHWULJZURQAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c10-7-9(5-6-9)11-8-3-1-2-4-8/h8H,1-7,10H2.
What are the key properties of (1-cyclopentylsulfanylcyclopropyl)methanamine?
(1-cyclopentylsulfanylcyclopropyl)methanamine has a molecular weight of 171.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylsulfanylcyclopropyl)methanamine is sourced from PubChem (CID 65139002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).