N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride

C13H27ClN2O3S — CID 119998562

IUPACN-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)CC2CCCO2)CCCCCC1
InChIInChI=1S/C13H26N2O3S.ClH/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)10-12-6-5-9-18-12;/h12,15H,1-11,14H2;1H
InChIKeyPATULAOSSUZYLH-UHFFFAOYSA-N
MW326.89 g/mol
LogP1.56
Rot. Bonds5

About N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride (PubChem CID 119998562) has the molecular formula C13H27ClN2O3S and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
PubChem CID119998562
Molecular FormulaC13H27ClN2O3S
Molecular Weight326.89 g/mol
Exact Mass326.14
IUPAC NameN-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)CC2CCCO2)CCCCCC1
InChIInChI=1S/C13H26N2O3S.ClH/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)10-12-6-5-9-18-12;/h12,15H,1-11,14H2;1H
InChIKeyPATULAOSSUZYLH-UHFFFAOYSA-N
XLogP1.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride (CID 119998562) is N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride is Cl.NC1(CNS(=O)(=O)CC2CCCO2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The InChIKey is PATULAOSSUZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S.ClH/c14-13(7-3-1-2-4-8-13)11-15-19(16,17)10-12-6-5-9-18-12;/h12,15H,1-11,14H2;1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119998562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).