N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride

C12H25ClN2O3S — CID 120720798

IUPACN-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)CC2CCOC2)CCCNC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-12(4-2-5-13-9-12)10-14-18(15,16)8-11-3-6-17-7-11;/h11,13-14H,2-10H2,1H3;1H
InChIKeyWSTVCOJZSPSMGJ-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.75
Rot. Bonds5

About N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride

N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride (PubChem CID 120720798) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
PubChem CID120720798
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride
SMILESCC1(CNS(=O)(=O)CC2CCOC2)CCCNC1.Cl
InChIInChI=1S/C12H24N2O3S.ClH/c1-12(4-2-5-13-9-12)10-14-18(15,16)8-11-3-6-17-7-11;/h11,13-14H,2-10H2,1H3;1H
InChIKeyWSTVCOJZSPSMGJ-UHFFFAOYSA-N
XLogP0.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120720655
1-cyclopentyl-N-[(3-methylpiperidin-3-yl)methyl]methanesulfonamide;hydrochloride
CID 120876267
N-[(3-methylpiperidin-3-yl)methyl]cyclopropanesulfonamide;hydrochloride
CID 120720826
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720873
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119979197
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720872
1-(4-methyloxan-4-yl)-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 114125910
1-(oxolan-3-yl)-N-(2-pyrrolidin-3-ylethyl)methanesulfonamide;hydrochloride
CID 119976903
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-(4-methylpiperidin-3-yl)-1-(oxolan-3-yl)methanesulfonamide
CID 120723080

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride (CID 120720798) is N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride is CC1(CNS(=O)(=O)CC2CCOC2)CCCNC1.Cl.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride?
The InChIKey is WSTVCOJZSPSMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c1-12(4-2-5-13-9-12)10-14-18(15,16)8-11-3-6-17-7-11;/h11,13-14H,2-10H2,1H3;1H.
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride?
N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-3-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120720798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).