1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine

C14H27NS — CID 115755933

IUPAC1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
SMILESCC(CC1CCCC1)NCC1CCSCC1
InChIInChI=1S/C14H27NS/c1-12(10-13-4-2-3-5-13)15-11-14-6-8-16-9-7-14/h12-15H,2-11H2,1H3
InChIKeySGGAREKGSCCDLE-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds5

About 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine

1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine (PubChem CID 115755933) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
PubChem CID115755933
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
SMILESCC(CC1CCCC1)NCC1CCSCC1
InChIInChI=1S/C14H27NS/c1-12(10-13-4-2-3-5-13)15-11-14-6-8-16-9-7-14/h12-15H,2-11H2,1H3
InChIKeySGGAREKGSCCDLE-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

2-N-(thian-4-ylmethyl)propane-1,2-diamine
CID 103391033
4-methoxy-4-methyl-N-(thian-4-ylmethyl)pentan-2-amine
CID 115719916
1-cyclobutyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115717537
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
CID 115625436
1-cyclobutyl-N-[(1-ethylpiperidin-4-yl)methyl]propan-2-amine
CID 115717000
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
2-methyl-N-(thian-4-ylmethyl)pentan-3-amine
CID 115719947
1-cyclopentyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 104584684
1-cyclobutyl-N-(oxan-3-ylmethyl)propan-2-amine
CID 115710920
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine?
The IUPAC name of 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine (CID 115755933) is 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine is CC(CC1CCCC1)NCC1CCSCC1.
What is the InChIKey of 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine?
The InChIKey is SGGAREKGSCCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-12(10-13-4-2-3-5-13)15-11-14-6-8-16-9-7-14/h12-15H,2-11H2,1H3.
What are the key properties of 1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine?
1-cyclopentyl-N-(thian-4-ylmethyl)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-(thian-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 115755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).