cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide

C15H28N2O3S — CID 124856655

IUPACcis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C15H28N2O3S/c1-16-15(18)11-7-3-4-8-12(11)17-13-9-5-6-10-14(13)21(2,19)20/h11-14,17H,3-10H2,1-2H3,(H,16,18)/t11-,12+,13+,14+/m1/s1
InChIKeyPGOHDOVLUITIGP-RFGFWPKPSA-N
MW316.47 g/mol
LogP1.24
Rot. Bonds4

About cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide

cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide (PubChem CID 124856655) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide
PubChem CID124856655
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Namecis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1S(C)(=O)=O
InChIInChI=1S/C15H28N2O3S/c1-16-15(18)11-7-3-4-8-12(11)17-13-9-5-6-10-14(13)21(2,19)20/h11-14,17H,3-10H2,1-2H3,(H,16,18)/t11-,12+,13+,14+/m1/s1
InChIKeyPGOHDOVLUITIGP-RFGFWPKPSA-N
XLogP1.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide (CID 124856655) is cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide is CNC(=O)[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1S(C)(=O)=O.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide?
The InChIKey is PGOHDOVLUITIGP-RFGFWPKPSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-16-15(18)11-7-3-4-8-12(11)17-13-9-5-6-10-14(13)21(2,19)20/h11-14,17H,3-10H2,1-2H3,(H,16,18)/t11-,12+,13+,14+/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide?
cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-[[(1S,2S)-2-methylsulfonylcyclohexyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 124856655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).