N-[(1-ethylcyclopentyl)methyl]thian-3-amine

C13H25NS — CID 115882236

IUPACN-[(1-ethylcyclopentyl)methyl]thian-3-amine
SMILESCCC1(CNC2CCCSC2)CCCC1
InChIInChI=1S/C13H25NS/c1-2-13(7-3-4-8-13)11-14-12-6-5-9-15-10-12/h12,14H,2-11H2,1H3
InChIKeyFHEGOHJZYXUFGT-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds4

About N-[(1-ethylcyclopentyl)methyl]thian-3-amine

N-[(1-ethylcyclopentyl)methyl]thian-3-amine (PubChem CID 115882236) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N-[(1-ethylcyclopentyl)methyl]thian-3-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclopentyl)methyl]thian-3-amine
PubChem CID115882236
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN-[(1-ethylcyclopentyl)methyl]thian-3-amine
SMILESCCC1(CNC2CCCSC2)CCCC1
InChIInChI=1S/C13H25NS/c1-2-13(7-3-4-8-13)11-14-12-6-5-9-15-10-12/h12,14H,2-11H2,1H3
InChIKeyFHEGOHJZYXUFGT-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
CID 115882230
2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
CID 126454601
4-ethyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116047
N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
3-methyl-1-[(thian-3-ylamino)methyl]cyclohexan-1-ol
CID 65116501
N-[(1-ethylcyclopropyl)methyl]-3-methylcyclohexan-1-amine;hydrochloride
CID 115680355
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]cyclohexan-1-amine
CID 114107440
N',N'-diethyl-N-[(3R)-thian-3-yl]ethane-1,2-diamine
CID 94885646
N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
CID 55051725
N-[(1-propylcyclopropyl)methyl]thietan-3-amine
CID 155893734

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopentyl)methyl]thian-3-amine?
The IUPAC name of N-[(1-ethylcyclopentyl)methyl]thian-3-amine (CID 115882236) is N-[(1-ethylcyclopentyl)methyl]thian-3-amine.
What is the SMILES notation for N-[(1-ethylcyclopentyl)methyl]thian-3-amine?
The canonical SMILES for N-[(1-ethylcyclopentyl)methyl]thian-3-amine is CCC1(CNC2CCCSC2)CCCC1.
What is the InChIKey of N-[(1-ethylcyclopentyl)methyl]thian-3-amine?
The InChIKey is FHEGOHJZYXUFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-2-13(7-3-4-8-13)11-14-12-6-5-9-15-10-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[(1-ethylcyclopentyl)methyl]thian-3-amine?
N-[(1-ethylcyclopentyl)methyl]thian-3-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopentyl)methyl]thian-3-amine is sourced from PubChem (CID 115882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).