N-(cyclopentylmethyl)thian-4-amine

C11H21NS — CID 43428240

IUPACN-(cyclopentylmethyl)thian-4-amine
SMILESC1CCC(CNC2CCSCC2)C1
InChIInChI=1S/C11H21NS/c1-2-4-10(3-1)9-12-11-5-7-13-8-6-11/h10-12H,1-9H2
InChIKeyKICQGVFXMFXUBQ-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds3

About N-(cyclopentylmethyl)thian-4-amine

N-(cyclopentylmethyl)thian-4-amine (PubChem CID 43428240) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)thian-4-amine
PubChem CID43428240
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(cyclopentylmethyl)thian-4-amine
SMILESC1CCC(CNC2CCSCC2)C1
InChIInChI=1S/C11H21NS/c1-2-4-10(3-1)9-12-11-5-7-13-8-6-11/h10-12H,1-9H2
InChIKeyKICQGVFXMFXUBQ-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)thian-4-amine?
The IUPAC name of N-(cyclopentylmethyl)thian-4-amine (CID 43428240) is N-(cyclopentylmethyl)thian-4-amine.
What is the SMILES notation for N-(cyclopentylmethyl)thian-4-amine?
The canonical SMILES for N-(cyclopentylmethyl)thian-4-amine is C1CCC(CNC2CCSCC2)C1.
What is the InChIKey of N-(cyclopentylmethyl)thian-4-amine?
The InChIKey is KICQGVFXMFXUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-2-4-10(3-1)9-12-11-5-7-13-8-6-11/h10-12H,1-9H2.
What are the key properties of N-(cyclopentylmethyl)thian-4-amine?
N-(cyclopentylmethyl)thian-4-amine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)thian-4-amine is sourced from PubChem (CID 43428240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).