2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine

C12H25NOS — CID 64654374

IUPAC2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)C(C)C
InChIInChI=1S/C12H25NOS/c1-4-9-13-11-7-5-6-8-12(11)15(14)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyHYHZPNAWFZIOGM-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.45
Rot. Bonds5

About 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine

2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64654374) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
PubChem CID64654374
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)C(C)C
InChIInChI=1S/C12H25NOS/c1-4-9-13-11-7-5-6-8-12(11)15(14)10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyHYHZPNAWFZIOGM-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine (CID 64654374) is 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCCCC1S(=O)C(C)C.
What is the InChIKey of 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is HYHZPNAWFZIOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-4-9-13-11-7-5-6-8-12(11)15(14)10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine?
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64654374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).