cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine

C14H24N2O2S2 — CID 124777349

IUPACcis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
SMILESCc1nc(C)c(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)s1
InChIInChI=1S/C14H24N2O2S2/c1-10-13(19-11(2)15-10)9-16(3)12-7-5-6-8-14(12)20(4,17)18/h12,14H,5-9H2,1-4H3/t12-,14+/m0/s1
InChIKeyBCNAIMLASQAXKQ-GXTWGEPZSA-N
MW316.49 g/mol
LogP2.55
Rot. Bonds4

About cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine

cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine (PubChem CID 124777349) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
PubChem CID124777349
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Namecis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
SMILESCc1nc(C)c(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)s1
InChIInChI=1S/C14H24N2O2S2/c1-10-13(19-11(2)15-10)9-16(3)12-7-5-6-8-14(12)20(4,17)18/h12,14H,5-9H2,1-4H3/t12-,14+/m0/s1
InChIKeyBCNAIMLASQAXKQ-GXTWGEPZSA-N
XLogP2.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine (CID 124777349) is cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine is Cc1nc(C)c(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)s1.
What is the InChIKey of cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is BCNAIMLASQAXKQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10-13(19-11(2)15-10)9-16(3)12-7-5-6-8-14(12)20(4,17)18/h12,14H,5-9H2,1-4H3/t12-,14+/m0/s1.
What are the key properties of cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine?
cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 316.49 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 124777349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).