1-amino-1-[(sulfamoylamino)methyl]cycloheptane

C8H19N3O2S — CID 114959306

IUPAC1-amino-1-[(sulfamoylamino)methyl]cycloheptane
SMILESNC1(CNS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C8H19N3O2S/c9-8(7-11-14(10,12)13)5-3-1-2-4-6-8/h11H,1-7,9H2,(H2,10,12,13)
InChIKeyGQNDXDOQVVUPMS-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.17
Rot. Bonds3

About 1-amino-1-[(sulfamoylamino)methyl]cycloheptane

1-amino-1-[(sulfamoylamino)methyl]cycloheptane (PubChem CID 114959306) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-amino-1-[(sulfamoylamino)methyl]cycloheptane.

Molecular Properties

Compound Name1-amino-1-[(sulfamoylamino)methyl]cycloheptane
PubChem CID114959306
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name1-amino-1-[(sulfamoylamino)methyl]cycloheptane
SMILESNC1(CNS(N)(=O)=O)CCCCCC1
InChIInChI=1S/C8H19N3O2S/c9-8(7-11-14(10,12)13)5-3-1-2-4-6-8/h11H,1-7,9H2,(H2,10,12,13)
InChIKeyGQNDXDOQVVUPMS-UHFFFAOYSA-N
XLogP-0.17
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Cycloheptanemethanamine, 1-amino-
CID 21151
1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cycloheptan-1-amine
CID 114803358
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810377
1-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cycloheptan-1-amine;hydrochloride
CID 121673042
1-Fluoro-1-[(sulfamoylamino)methyl]cycloheptane
CID 157365776
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
(Sulfinatoamino)methylcycloheptane
CID 69518278
2-(Sulfinatoamino)ethylcycloheptane
CID 69519223
(Sulfamoylamino)methylcycloheptane;hydrochloride
CID 157647084
2-(Sulfamoylamino)ethylcycloheptane
CID 157668382

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[(sulfamoylamino)methyl]cycloheptane?
The IUPAC name of 1-amino-1-[(sulfamoylamino)methyl]cycloheptane (CID 114959306) is 1-amino-1-[(sulfamoylamino)methyl]cycloheptane.
What is the SMILES notation for 1-amino-1-[(sulfamoylamino)methyl]cycloheptane?
The canonical SMILES for 1-amino-1-[(sulfamoylamino)methyl]cycloheptane is NC1(CNS(N)(=O)=O)CCCCCC1.
What is the InChIKey of 1-amino-1-[(sulfamoylamino)methyl]cycloheptane?
The InChIKey is GQNDXDOQVVUPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-8(7-11-14(10,12)13)5-3-1-2-4-6-8/h11H,1-7,9H2,(H2,10,12,13).
What are the key properties of 1-amino-1-[(sulfamoylamino)methyl]cycloheptane?
1-amino-1-[(sulfamoylamino)methyl]cycloheptane has a molecular weight of 221.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[(sulfamoylamino)methyl]cycloheptane is sourced from PubChem (CID 114959306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).