1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine

C12H23NS — CID 115074209

IUPAC1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCC2CCCSC2)CCCC1
InChIInChI=1S/C12H23NS/c13-12(6-1-2-7-12)8-5-11-4-3-9-14-10-11/h11H,1-10,13H2
InChIKeyRXHVLQNGPLMDKD-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.18
Rot. Bonds3

About 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine

1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 115074209) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
PubChem CID115074209
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine
SMILESNC1(CCC2CCCSC2)CCCC1
InChIInChI=1S/C12H23NS/c13-12(6-1-2-7-12)8-5-11-4-3-9-14-10-11/h11H,1-10,13H2
InChIKeyRXHVLQNGPLMDKD-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
CID 117271476
1-[2-(thian-4-yl)ethyl]cyclopropan-1-amine
CID 83906962
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-amine
CID 115074188
1-[2-(1,1-dioxothian-3-yl)ethyl]cyclopentan-1-amine
CID 115074208
1-(2-pyrrolidin-3-ylethyl)cyclohexan-1-amine
CID 115074244
1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542
thian-3-ylmethanethiol
CID 83678909
1-(thian-3-ylmethyl)cyclobutan-1-ol
CID 115073620
1-[2-(3-fluorocyclohexyl)ethyl]cyclopropan-1-amine
CID 105441799
N-methyl-1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-amine
CID 84660283
(2S)-1-(thian-3-yl)propan-2-amine
CID 157129438
thian-3-ylmethanesulfonamide
CID 115020407

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine (CID 115074209) is 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine is NC1(CCC2CCCSC2)CCCC1.
What is the InChIKey of 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is RXHVLQNGPLMDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c13-12(6-1-2-7-12)8-5-11-4-3-9-14-10-11/h11H,1-10,13H2.
What are the key properties of 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine?
1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 213.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 115074209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).