N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide

C13H26N2O3S — CID 55031293

IUPACN-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C13H26N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-11,14H2
InChIKeySORBZPQPTJCYEO-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.14
Rot. Bonds4

About N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide

N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide (PubChem CID 55031293) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
PubChem CID55031293
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C13H26N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-11,14H2
InChIKeySORBZPQPTJCYEO-UHFFFAOYSA-N
XLogP1.14
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781
N-[(1-aminocycloheptyl)methyl]-2-methoxyethanesulfonamide
CID 55014025
N-[1-(aminomethyl)cycloheptyl]-3-methoxypropane-1-sulfonamide
CID 55172490
N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 55172496
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 55174512
N-[1-(aminomethyl)cycloheptyl]-2-ethoxyethanesulfonamide
CID 55175263
1-(Oxan-4-ylsulfonylamino)cycloheptane-1-carbothioamide
CID 62047533
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
CID 62047874
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
CID 62047875
N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
CID 62048059
N-[3-(aminomethyl)pentan-3-yl]oxane-4-sulfonamide
CID 62048062

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide (CID 55031293) is N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide is NCC1(NS(=O)(=O)C2CCOCC2)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide?
The InChIKey is SORBZPQPTJCYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-11,14H2.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide?
N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide is sourced from PubChem (CID 55031293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).