3-(tert-butylsulfinylmethyl)cyclopentan-1-amine

C10H21NOS — CID 130582308

IUPAC3-(tert-butylsulfinylmethyl)cyclopentan-1-amine
SMILESCC(C)(C)S(=O)CC1CCC(N)C1
InChIInChI=1S/C10H21NOS/c1-10(2,3)13(12)7-8-4-5-9(11)6-8/h8-9H,4-7,11H2,1-3H3
InChIKeyOMVGYKPDBZXHIZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.66
Rot. Bonds2

About 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine

3-(tert-butylsulfinylmethyl)cyclopentan-1-amine (PubChem CID 130582308) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(tert-butylsulfinylmethyl)cyclopentan-1-amine
PubChem CID130582308
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(tert-butylsulfinylmethyl)cyclopentan-1-amine
SMILESCC(C)(C)S(=O)CC1CCC(N)C1
InChIInChI=1S/C10H21NOS/c1-10(2,3)13(12)7-8-4-5-9(11)6-8/h8-9H,4-7,11H2,1-3H3
InChIKeyOMVGYKPDBZXHIZ-UHFFFAOYSA-N
XLogP1.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine (CID 130582308) is 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine is CC(C)(C)S(=O)CC1CCC(N)C1.
What is the InChIKey of 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine?
The InChIKey is OMVGYKPDBZXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(2,3)13(12)7-8-4-5-9(11)6-8/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine?
3-(tert-butylsulfinylmethyl)cyclopentan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfinylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 130582308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).