1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine

C12H25NOS — CID 64656247

IUPAC1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine
SMILESCNC(CS(=O)C1CCCC1)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-12(2,3)11(13-4)9-15(14)10-7-5-6-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyONVDKYUULMZPPU-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.31
Rot. Bonds4

About 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine

1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine (PubChem CID 64656247) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine
PubChem CID64656247
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine
SMILESCNC(CS(=O)C1CCCC1)C(C)(C)C
InChIInChI=1S/C12H25NOS/c1-12(2,3)11(13-4)9-15(14)10-7-5-6-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyONVDKYUULMZPPU-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine (CID 64656247) is 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine is CNC(CS(=O)C1CCCC1)C(C)(C)C.
What is the InChIKey of 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine?
The InChIKey is ONVDKYUULMZPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-12(2,3)11(13-4)9-15(14)10-7-5-6-8-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine?
1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine has a molecular weight of 231.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfinyl-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 64656247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).