(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine

C11H21NS — CID 66431153

IUPAC(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine
SMILESCC1CCC1(CN)SC1CCCC1
InChIInChI=1S/C11H21NS/c1-9-6-7-11(9,8-12)13-10-4-2-3-5-10/h9-10H,2-8,12H2,1H3
InChIKeyITHDUDGKGVMIBS-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.79
Rot. Bonds3

About (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine

(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine (PubChem CID 66431153) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine.

Molecular Properties

Compound Name(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine
PubChem CID66431153
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine
SMILESCC1CCC1(CN)SC1CCCC1
InChIInChI=1S/C11H21NS/c1-9-6-7-11(9,8-12)13-10-4-2-3-5-10/h9-10H,2-8,12H2,1H3
InChIKeyITHDUDGKGVMIBS-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclopentylsulfanylcyclopropyl)methanamine
CID 65139002
(1-cyclohexylsulfanylcyclopentyl)methanamine
CID 65139467
(2-methyl-1-propan-2-ylsulfanylcyclopentyl)methanamine
CID 79680078
1-cyclohexylsulfanyl-2-methylcyclobutane-1-carbonitrile
CID 66431560
(2-cyclohexylsulfanylspiro[3.4]octan-2-yl)methanamine
CID 65139414
(3-cyclohexylsulfanyloxetan-3-yl)methanamine
CID 117035318
1-(aminomethyl)-2-methyl-N-prop-2-ynylcyclohexan-1-amine
CID 65382192
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
1-(aminomethyl)-2,7-dimethylcycloheptan-1-ol
CID 83905899
(1R)-1,2-dimethylcyclobutan-1-amine
CID 147198625
1-cyclopentylsulfanyl-2-methylcyclopentane-1-carboxylic acid
CID 79678876
(3-methyl-1,2,3,4,5,6,7,7a-octahydroinden-3a-yl)methanamine
CID 83980314

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine?
The IUPAC name of (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine (CID 66431153) is (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine.
What is the SMILES notation for (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine?
The canonical SMILES for (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine is CC1CCC1(CN)SC1CCCC1.
What is the InChIKey of (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine?
The InChIKey is ITHDUDGKGVMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-9-6-7-11(9,8-12)13-10-4-2-3-5-10/h9-10H,2-8,12H2,1H3.
What are the key properties of (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine?
(1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine has a molecular weight of 199.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylsulfanyl-2-methylcyclobutyl)methanamine is sourced from PubChem (CID 66431153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).