N-(2-ethylcyclopentyl)thian-3-amine

C12H23NS — CID 115726681

IUPACN-(2-ethylcyclopentyl)thian-3-amine
SMILESCCC1CCCC1NC1CCCSC1
InChIInChI=1S/C12H23NS/c1-2-10-5-3-7-12(10)13-11-6-4-8-14-9-11/h10-13H,2-9H2,1H3
InChIKeyLBCRNXRXWHUCIF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds3

About N-(2-ethylcyclopentyl)thian-3-amine

N-(2-ethylcyclopentyl)thian-3-amine (PubChem CID 115726681) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)thian-3-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)thian-3-amine
PubChem CID115726681
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(2-ethylcyclopentyl)thian-3-amine
SMILESCCC1CCCC1NC1CCCSC1
InChIInChI=1S/C12H23NS/c1-2-10-5-3-7-12(10)13-11-6-4-8-14-9-11/h10-13H,2-9H2,1H3
InChIKeyLBCRNXRXWHUCIF-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-[2-(aminomethyl)cyclopentyl]thiolan-3-amine
CID 103062677
N-(2-ethylcyclopropyl)thiolan-3-amine
CID 103783743
[2-(thiolan-3-ylamino)cyclohexyl]methanol
CID 103784945
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
N-(3,3-dimethylcyclobutyl)-2-ethylcyclopentan-1-amine
CID 130685162
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
N-(2-ethylcyclopentyl)-3-methylsulfanylcyclohexan-1-amine
CID 115721250
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
N-[2-[(thian-3-ylamino)methyl]cyclopentyl]methanesulfonamide
CID 86787572
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257
N-(2-ethylcyclohexyl)-1-methylazetidin-3-amine
CID 131160327

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)thian-3-amine?
The IUPAC name of N-(2-ethylcyclopentyl)thian-3-amine (CID 115726681) is N-(2-ethylcyclopentyl)thian-3-amine.
What is the SMILES notation for N-(2-ethylcyclopentyl)thian-3-amine?
The canonical SMILES for N-(2-ethylcyclopentyl)thian-3-amine is CCC1CCCC1NC1CCCSC1.
What is the InChIKey of N-(2-ethylcyclopentyl)thian-3-amine?
The InChIKey is LBCRNXRXWHUCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-2-10-5-3-7-12(10)13-11-6-4-8-14-9-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(2-ethylcyclopentyl)thian-3-amine?
N-(2-ethylcyclopentyl)thian-3-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopentyl)thian-3-amine is sourced from PubChem (CID 115726681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).