1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine

C9H21N3O2S — CID 114810378

IUPAC1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
SMILESCNS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C9H21N3O2S/c1-11-15(13,14)12-8-9(10)6-4-2-3-5-7-9/h11-12H,2-8,10H2,1H3
InChIKeyOITHZOBMMFWHPC-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.09
Rot. Bonds4

About 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine

1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine (PubChem CID 114810378) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
PubChem CID114810378
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
SMILESCNS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C9H21N3O2S/c1-11-15(13,14)12-8-9(10)6-4-2-3-5-7-9/h11-12H,2-8,10H2,1H3
InChIKeyOITHZOBMMFWHPC-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
1-[(propan-2-ylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352856
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
CID 63689180
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-amino-1-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]cyclohexane;hydrochloride
CID 119958816
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541

Frequently Asked Questions

What is the IUPAC name of 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine?
The IUPAC name of 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine (CID 114810378) is 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine is CNS(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine?
The InChIKey is OITHZOBMMFWHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-11-15(13,14)12-8-9(10)6-4-2-3-5-7-9/h11-12H,2-8,10H2,1H3.
What are the key properties of 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine?
1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine is sourced from PubChem (CID 114810378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).