N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide

C12H26N2O2S — CID 43598336

IUPACN-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-10-17(15,16)14-11-12(13)8-6-4-5-7-9-12/h14H,2-11,13H2,1H3
InChIKeyGGIUXFKWTBKVGQ-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.76
Rot. Bonds6

About N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide

N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide (PubChem CID 43598336) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide
PubChem CID43598336
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H26N2O2S/c1-2-3-10-17(15,16)14-11-12(13)8-6-4-5-7-9-12/h14H,2-11,13H2,1H3
InChIKeyGGIUXFKWTBKVGQ-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]ethanesulfonamide
CID 28940534
N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
CID 134966542
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoromethanesulfonamide
CID 28940670
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
3-[1-(Aminomethyl)cycloheptyl]propane-1-sulfonamide
CID 17826882
[1-(Aminomethyl)cycloheptyl]methanesulfonamide
CID 21888356
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
1-Amino-2-methyloctane-4-sulfonamide
CID 57090687
N-(cycloheptylmethyl)propane-2-sulfonamide
CID 57118217
1-(1-aminocyclohexyl)-N-ethylmethanesulfonamide
CID 71057607

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide (CID 43598336) is N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide?
The InChIKey is GGIUXFKWTBKVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-2-3-10-17(15,16)14-11-12(13)8-6-4-5-7-9-12/h14H,2-11,13H2,1H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide?
N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 43598336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).