N-[1-(aminomethyl)cycloheptyl]methanesulfonamide

C9H20N2O2S — CID 28940684

IUPACN-[1-(aminomethyl)cycloheptyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)11-9(8-10)6-4-2-3-5-7-9/h11H,2-8,10H2,1H3
InChIKeyOAQSFCRDEDKZIL-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.59
Rot. Bonds3

About N-[1-(aminomethyl)cycloheptyl]methanesulfonamide

N-[1-(aminomethyl)cycloheptyl]methanesulfonamide (PubChem CID 28940684) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]methanesulfonamide
PubChem CID28940684
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-[1-(aminomethyl)cycloheptyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C9H20N2O2S/c1-14(12,13)11-9(8-10)6-4-2-3-5-7-9/h11H,2-8,10H2,1H3
InChIKeyOAQSFCRDEDKZIL-UHFFFAOYSA-N
XLogP0.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]methanesulfonamide
CID 16227899
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
N-[(1-aminocycloheptyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 43598303
N-[(1-aminocycloheptyl)methyl]-1,1-difluoromethanesulfonamide
CID 43598317
N-[(1-aminocycloheptyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83059572
N-[1-(aminomethyl)cycloheptyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83067938
N-(2-cycloheptylethyl)methanesulfonamide
CID 17617094
N-[2-[1-(aminomethyl)cycloheptyl]ethyl]methanesulfonamide
CID 21888266
N-(6-ethyloctan-2-yl)methanesulfonamide
CID 23573810
N-[(1-aminocyclohexyl)methyl]methanesulfonamide
CID 43598238
N-(3-cycloheptylpropyl)methanesulfonamide
CID 54015622
N-(6-amino-2-ethylheptyl)methanesulfonamide
CID 118909031

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]methanesulfonamide (CID 28940684) is N-[1-(aminomethyl)cycloheptyl]methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]methanesulfonamide is CS(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]methanesulfonamide?
The InChIKey is OAQSFCRDEDKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-14(12,13)11-9(8-10)6-4-2-3-5-7-9/h11H,2-8,10H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]methanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]methanesulfonamide is sourced from PubChem (CID 28940684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).