N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide

C9H21N3O2S — CID 58874312

IUPACN-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC[C@H](N)[C@H](N)C1
InChIInChI=1S/C9H21N3O2S/c1-2-15(13,14)12-6-7-3-4-8(10)9(11)5-7/h7-9,12H,2-6,10-11H2,1H3/t7?,8-,9+/m0/s1
InChIKeyHRENTSNYKWIRDZ-SXNZSPLWSA-N
MW235.35 g/mol
LogP-0.62
Rot. Bonds4

About N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide

N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide (PubChem CID 58874312) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide
PubChem CID58874312
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CC[C@H](N)[C@H](N)C1
InChIInChI=1S/C9H21N3O2S/c1-2-15(13,14)12-6-7-3-4-8(10)9(11)5-7/h7-9,12H,2-6,10-11H2,1H3/t7?,8-,9+/m0/s1
InChIKeyHRENTSNYKWIRDZ-SXNZSPLWSA-N
XLogP-0.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-N-pentan-3-ylmethanesulfonamide
CID 72148715
N-(3-ethylcyclohexyl)-3,3-dimethylbutane-1-sulfonamide
CID 91643251
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-[4-(aminomethyl)cyclohexyl]-2,2,2-trifluoroethanesulfonamide
CID 132113259
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499
N-[3-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355500
N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61356176
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 61383788
N-[4-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 61383807
N-(2-amino-1-cyclohexylethyl)-3-fluoropropane-1-sulfonamide
CID 86780702
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 95358804

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide (CID 58874312) is N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CC[C@H](N)[C@H](N)C1.
What is the InChIKey of N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide?
The InChIKey is HRENTSNYKWIRDZ-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-15(13,14)12-6-7-3-4-8(10)9(11)5-7/h7-9,12H,2-6,10-11H2,1H3/t7?,8-,9+/m0/s1.
What are the key properties of N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide?
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]ethanesulfonamide is sourced from PubChem (CID 58874312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).