2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

C15H26N2O2S2 — CID 136520495

IUPAC2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)c1nc(CCNC2CCCCC2S(C)(=O)=O)cs1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)15-17-12(10-20-15)8-9-16-13-6-4-5-7-14(13)21(3,18)19/h10-11,13-14,16H,4-9H2,1-3H3
InChIKeyQIRNSSZQDOIJIH-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.75
Rot. Bonds6

About 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine

2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 136520495) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID136520495
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)c1nc(CCNC2CCCCC2S(C)(=O)=O)cs1
InChIInChI=1S/C15H26N2O2S2/c1-11(2)15-17-12(10-20-15)8-9-16-13-6-4-5-7-14(13)21(3,18)19/h10-11,13-14,16H,4-9H2,1-3H3
InChIKeyQIRNSSZQDOIJIH-UHFFFAOYSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine (CID 136520495) is 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is CC(C)c1nc(CCNC2CCCCC2S(C)(=O)=O)cs1.
What is the InChIKey of 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is QIRNSSZQDOIJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)15-17-12(10-20-15)8-9-16-13-6-4-5-7-14(13)21(3,18)19/h10-11,13-14,16H,4-9H2,1-3H3.
What are the key properties of 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine?
2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 136520495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).