N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine

C11H23NS — CID 63115390

IUPACN-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSC1CCCC1
InChIInChI=1S/C11H23NS/c1-11(2,3)12-8-9-13-10-6-4-5-7-10/h10,12H,4-9H2,1-3H3
InChIKeySVJCPTVWQBUYOG-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.05
Rot. Bonds4

About N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine

N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine (PubChem CID 63115390) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
PubChem CID63115390
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCCSC1CCCC1
InChIInChI=1S/C11H23NS/c1-11(2,3)12-8-9-13-10-6-4-5-7-10/h10,12H,4-9H2,1-3H3
InChIKeySVJCPTVWQBUYOG-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine (CID 63115390) is N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine is CC(C)(C)NCCSC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine?
The InChIKey is SVJCPTVWQBUYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-11(2,3)12-8-9-13-10-6-4-5-7-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine?
N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 63115390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).