1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane

C15H31N3O2S — CID 43598278

IUPAC1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane
SMILESCN(C1CCCCC1)S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C15H31N3O2S/c1-18(14-9-5-4-6-10-14)21(19,20)17-13-15(16)11-7-2-3-8-12-15/h14,17H,2-13,16H2,1H3
InChIKeyDMQHUFTVWCNEQQ-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.14
Rot. Bonds5

About 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane

1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane (PubChem CID 43598278) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane.

Molecular Properties

Compound Name1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane
PubChem CID43598278
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane
SMILESCN(C1CCCCC1)S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C15H31N3O2S/c1-18(14-9-5-4-6-10-14)21(19,20)17-13-15(16)11-7-2-3-8-12-15/h14,17H,2-13,16H2,1H3
InChIKeyDMQHUFTVWCNEQQ-UHFFFAOYSA-N
XLogP2.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane 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-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
[(2-Amino-2-ethylbutyl)sulfamoyl-methylamino]cyclohexane
CID 86780419
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N'-methylethane-1,2-diamine
CID 70870754
(1S)-1-cyclohexyl-N'-(dimethylsulfamoyl)-N,N'-dimethylethane-1,2-diamine
CID 70891149
[Methyl(3-methylhexan-3-ylsulfamoyl)amino]cyclohexane
CID 169963899
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane?
The IUPAC name of 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane (CID 43598278) is 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane.
What is the SMILES notation for 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane?
The canonical SMILES for 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane is CN(C1CCCCC1)S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane?
The InChIKey is DMQHUFTVWCNEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-18(14-9-5-4-6-10-14)21(19,20)17-13-15(16)11-7-2-3-8-12-15/h14,17H,2-13,16H2,1H3.
What are the key properties of 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane?
1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane has a molecular weight of 317.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[[[cyclohexyl(methyl)sulfamoyl]amino]methyl]cycloheptane is sourced from PubChem (CID 43598278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).