1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene

C18H31N3O2S — CID 68948994

IUPAC1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
SMILESC[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C18H31N3O2S/c1-15(13-16-9-5-4-6-10-16)19-14-17-11-7-8-12-18(17)20-24(22,23)21(2)3/h7-8,11-12,15-16,19-20H,4-6,9-10,13-14H2,1-3H3/t15-/m0/s1
InChIKeySJCIATPWHHBCNF-HNNXBMFYSA-N
MW353.53 g/mol
LogP3.35
Rot. Bonds8

About 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene

1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene (PubChem CID 68948994) has the molecular formula C18H31N3O2S and a molecular weight of 353.53 g/mol. Its IUPAC name is 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene.

Molecular Properties

Compound Name1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
PubChem CID68948994
Molecular FormulaC18H31N3O2S
Molecular Weight353.53 g/mol
Exact Mass353.21
IUPAC Name1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene
SMILESC[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)N(C)C
InChIInChI=1S/C18H31N3O2S/c1-15(13-16-9-5-4-6-10-16)19-14-17-11-7-8-12-18(17)20-24(22,23)21(2)3/h7-8,11-12,15-16,19-20H,4-6,9-10,13-14H2,1-3H3/t15-/m0/s1
InChIKeySJCIATPWHHBCNF-HNNXBMFYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]benzenesulfonamide
CID 68952611
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 68948836
[4-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]sulfamoyl]phenyl]urea
CID 71147587
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1-benzothiophene-2-sulfonamide
CID 11978721
5-(benzenesulfonyl)-N-[2-[[[(2S)-1-cycloheptylpropan-2-yl]amino]methyl]phenyl]thiophene-2-sulfonamide
CID 68947386
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-6-methoxypyridine-3-sulfonamide
CID 68951837
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1,3-benzothiazole-6-sulfonamide
CID 68950626
5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide
CID 68948115
5-chloro-N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 68948851
N-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1-pyrimidin-2-ylimidazole-4-sulfonamide
CID 68948853

Frequently Asked Questions

What is the IUPAC name of 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene?
The IUPAC name of 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene (CID 68948994) is 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene.
What is the SMILES notation for 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene?
The canonical SMILES for 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene is C[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)N(C)C.
What is the InChIKey of 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene?
The InChIKey is SJCIATPWHHBCNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O2S/c1-15(13-16-9-5-4-6-10-16)19-14-17-11-7-8-12-18(17)20-24(22,23)21(2)3/h7-8,11-12,15-16,19-20H,4-6,9-10,13-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene?
1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene has a molecular weight of 353.53 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]-2-(dimethylsulfamoylamino)benzene is sourced from PubChem (CID 68948994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).