1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane

C10H23N3O2S — CID 28940646

IUPAC1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
SMILESCN(C)S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-10(9-11)7-5-3-4-6-8-10/h12H,3-9,11H2,1-2H3
InChIKeyMANSLBAHNWLSLJ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.43
Rot. Bonds4

About 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane

1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane (PubChem CID 28940646) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
PubChem CID28940646
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
SMILESCN(C)S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-10(9-11)7-5-3-4-6-8-10/h12H,3-9,11H2,1-2H3
InChIKeyMANSLBAHNWLSLJ-UHFFFAOYSA-N
XLogP0.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
CID 114803358
1-(Aminomethyl)-1-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803834
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810377
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
7-(Dimethylsulfamoylamino)-7-methyltridecane
CID 130342801
5-(Dimethylsulfamoylamino)-5-methyldodecane
CID 130356012
5-Methyl-5-(sulfinatoamino)-azacyclododecane
CID 139301763
6-Methyl-6-(sulfinatoamino)-azacyclododecane
CID 139301769
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane?
The IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane (CID 28940646) is 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane.
What is the SMILES notation for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane?
The canonical SMILES for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane is CN(C)S(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane?
The InChIKey is MANSLBAHNWLSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-13(2)16(14,15)12-10(9-11)7-5-3-4-6-8-10/h12H,3-9,11H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane?
1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane has a molecular weight of 249.38 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane is sourced from PubChem (CID 28940646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).