3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride

C9H22ClN3O2S — CID 120720873

IUPAC3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
SMILESCN(C)S(=O)(=O)NCC1(C)CCCNC1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-9(5-4-6-10-7-9)8-11-15(13,14)12(2)3;/h10-11H,4-8H2,1-3H3;1H
InChIKeyIQSUTLOTDQNRSZ-UHFFFAOYSA-N
MW271.81 g/mol
LogP0.19
Rot. Bonds4

About 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride

3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride (PubChem CID 120720873) has the molecular formula C9H22ClN3O2S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
PubChem CID120720873
Molecular FormulaC9H22ClN3O2S
Molecular Weight271.81 g/mol
Exact Mass271.11
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
SMILESCN(C)S(=O)(=O)NCC1(C)CCCNC1.Cl
InChIInChI=1S/C9H21N3O2S.ClH/c1-9(5-4-6-10-7-9)8-11-15(13,14)12(2)3;/h10-11H,4-8H2,1-3H3;1H
InChIKeyIQSUTLOTDQNRSZ-UHFFFAOYSA-N
XLogP0.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride (CID 120720873) is 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride is CN(C)S(=O)(=O)NCC1(C)CCCNC1.Cl.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
The InChIKey is IQSUTLOTDQNRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S.ClH/c1-9(5-4-6-10-7-9)8-11-15(13,14)12(2)3;/h10-11H,4-8H2,1-3H3;1H.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride?
3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride has a molecular weight of 271.81 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 120720873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).