(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine

C14H24N2O2S2 — CID 99580177

IUPAC(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
SMILESCC1(C)CCCC[C@@H]1NCc1csc(CS(C)(=O)=O)n1
InChIInChI=1S/C14H24N2O2S2/c1-14(2)7-5-4-6-12(14)15-8-11-9-19-13(16-11)10-20(3,17)18/h9,12,15H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyZIWIXOIFAYTBEE-LBPRGKRZSA-N
MW316.49 g/mol
LogP2.75
Rot. Bonds5

About (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine

(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine (PubChem CID 99580177) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
PubChem CID99580177
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine
SMILESCC1(C)CCCC[C@@H]1NCc1csc(CS(C)(=O)=O)n1
InChIInChI=1S/C14H24N2O2S2/c1-14(2)7-5-4-6-12(14)15-8-11-9-19-13(16-11)10-20(3,17)18/h9,12,15H,4-8,10H2,1-3H3/t12-/m0/s1
InChIKeyZIWIXOIFAYTBEE-LBPRGKRZSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine (CID 99580177) is (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine is CC1(C)CCCC[C@@H]1NCc1csc(CS(C)(=O)=O)n1.
What is the InChIKey of (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine?
The InChIKey is ZIWIXOIFAYTBEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-14(2)7-5-4-6-12(14)15-8-11-9-19-13(16-11)10-20(3,17)18/h9,12,15H,4-8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine?
(1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 99580177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).