1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine

C14H27NS — CID 105138955

IUPAC1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(CC1CCCC1)CC1CCSCC1
InChIInChI=1S/C14H27NS/c1-15-14(10-12-4-2-3-5-12)11-13-6-8-16-9-7-13/h12-15H,2-11H2,1H3
InChIKeyJVXLXFBJXFPWBN-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds5

About 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine

1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine (PubChem CID 105138955) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
PubChem CID105138955
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
SMILESCNC(CC1CCCC1)CC1CCSCC1
InChIInChI=1S/C14H27NS/c1-15-14(10-12-4-2-3-5-12)11-13-6-8-16-9-7-13/h12-15H,2-11H2,1H3
InChIKeyJVXLXFBJXFPWBN-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-cyclohexyl-3-(thian-4-yl)propan-2-yl]hydrazine
CID 105296302
1-cyclobutyl-N-methyl-2-(thian-4-yl)ethanamine
CID 105187447
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine
CID 105190189
N-methyl-1-(thian-4-yl)non-8-en-2-amine
CID 107011659
(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 58597797
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
1-(4-chlorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105085436
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
1-cyclopentyl-N-methyl-3-(oxolan-2-yl)propan-2-amine
CID 62602079

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine?
The IUPAC name of 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine (CID 105138955) is 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine is CNC(CC1CCCC1)CC1CCSCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine?
The InChIKey is JVXLXFBJXFPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-15-14(10-12-4-2-3-5-12)11-13-6-8-16-9-7-13/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine?
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105138955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).