2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine

C11H23NS — CID 107763462

IUPAC2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine
SMILESCC(C)C(C)SC1CCC(N)C1C
InChIInChI=1S/C11H23NS/c1-7(2)9(4)13-11-6-5-10(12)8(11)3/h7-11H,5-6,12H2,1-4H3
InChIKeyDYKVUINKDGCRLD-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.89
Rot. Bonds3

About 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine

2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine (PubChem CID 107763462) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine
PubChem CID107763462
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine
SMILESCC(C)C(C)SC1CCC(N)C1C
InChIInChI=1S/C11H23NS/c1-7(2)9(4)13-11-6-5-10(12)8(11)3/h7-11H,5-6,12H2,1-4H3
InChIKeyDYKVUINKDGCRLD-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine?
The IUPAC name of 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine (CID 107763462) is 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine is CC(C)C(C)SC1CCC(N)C1C.
What is the InChIKey of 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine?
The InChIKey is DYKVUINKDGCRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-7(2)9(4)13-11-6-5-10(12)8(11)3/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine?
2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine is sourced from PubChem (CID 107763462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).