N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

C10H22N2O3S — CID 43502102

IUPACN-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC(C)CO)C1
InChIInChI=1S/C10H22N2O3S/c1-8-4-9(2)6-12(5-8)16(14,15)11-10(3)7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyDFKARUUTQBCFLE-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.18
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide

N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 43502102) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID43502102
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC(C)CO)C1
InChIInChI=1S/C10H22N2O3S/c1-8-4-9(2)6-12(5-8)16(14,15)11-10(3)7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyDFKARUUTQBCFLE-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide (CID 43502102) is N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NC(C)CO)C1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is DFKARUUTQBCFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-8-4-9(2)6-12(5-8)16(14,15)11-10(3)7-13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide?
N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 250.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 43502102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).