N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

C15H24N2O4S2 — CID 124694470

IUPACN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN
InChIInChI=1S/C15H24N2O4S2/c1-11-7-8-13(22(2,18)19)9-15(11)23(20,21)17-14-6-4-3-5-12(14)10-16/h7-9,12,14,17H,3-6,10,16H2,1-2H3/t12-,14-/m0/s1
InChIKeyUHEKSRJZMPJJOD-JSGCOSHPSA-N
MW360.50 g/mol
LogP1.19
Rot. Bonds5

About N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 124694470) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID124694470
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN
InChIInChI=1S/C15H24N2O4S2/c1-11-7-8-13(22(2,18)19)9-15(11)23(20,21)17-14-6-4-3-5-12(14)10-16/h7-9,12,14,17H,3-6,10,16H2,1-2H3/t12-,14-/m0/s1
InChIKeyUHEKSRJZMPJJOD-JSGCOSHPSA-N
XLogP1.19
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 124690418
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119986461
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698245
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119986348
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120711144
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698250
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-3-fluoro-4-methylsulfonylbenzenesulfonamide
CID 124690616
N-[2-(aminomethyl)cyclopentyl]-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327839
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[2-(aminomethyl)cyclopentyl]-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 119985933
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(methanesulfonamido)benzenesulfonamide;hydrochloride
CID 119986255

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (CID 124694470) is N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1CN.
What is the InChIKey of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is UHEKSRJZMPJJOD-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-11-7-8-13(22(2,18)19)9-15(11)23(20,21)17-14-6-4-3-5-12(14)10-16/h7-9,12,14,17H,3-6,10,16H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 124694470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).