(2-butan-2-ylsulfanylcyclopentyl)methanamine

C10H21NS — CID 43530008

IUPAC(2-butan-2-ylsulfanylcyclopentyl)methanamine
SMILESCCC(C)SC1CCCC1CN
InChIInChI=1S/C10H21NS/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10H,3-7,11H2,1-2H3
InChIKeySZUVHPIHQNXBFZ-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.65
Rot. Bonds4

About (2-butan-2-ylsulfanylcyclopentyl)methanamine

(2-butan-2-ylsulfanylcyclopentyl)methanamine (PubChem CID 43530008) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2-butan-2-ylsulfanylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-butan-2-ylsulfanylcyclopentyl)methanamine
PubChem CID43530008
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2-butan-2-ylsulfanylcyclopentyl)methanamine
SMILESCCC(C)SC1CCCC1CN
InChIInChI=1S/C10H21NS/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10H,3-7,11H2,1-2H3
InChIKeySZUVHPIHQNXBFZ-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylsulfanylcyclopentyl)methanamine?
The IUPAC name of (2-butan-2-ylsulfanylcyclopentyl)methanamine (CID 43530008) is (2-butan-2-ylsulfanylcyclopentyl)methanamine.
What is the SMILES notation for (2-butan-2-ylsulfanylcyclopentyl)methanamine?
The canonical SMILES for (2-butan-2-ylsulfanylcyclopentyl)methanamine is CCC(C)SC1CCCC1CN.
What is the InChIKey of (2-butan-2-ylsulfanylcyclopentyl)methanamine?
The InChIKey is SZUVHPIHQNXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-8(2)12-10-6-4-5-9(10)7-11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of (2-butan-2-ylsulfanylcyclopentyl)methanamine?
(2-butan-2-ylsulfanylcyclopentyl)methanamine has a molecular weight of 187.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylsulfanylcyclopentyl)methanamine is sourced from PubChem (CID 43530008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).