N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide

C9H20N2O3S — CID 43501573

IUPACN-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCO)C1
InChIInChI=1S/C9H20N2O3S/c1-9-4-2-6-11(8-9)15(13,14)10-5-3-7-12/h9-10,12H,2-8H2,1H3
InChIKeyLNMWQJWGRJKLAG-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.06
Rot. Bonds5

About N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide

N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 43501573) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide
PubChem CID43501573
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)NCCCO)C1
InChIInChI=1S/C9H20N2O3S/c1-9-4-2-6-11(8-9)15(13,14)10-5-3-7-12/h9-10,12H,2-8H2,1H3
InChIKeyLNMWQJWGRJKLAG-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide (CID 43501573) is N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)NCCCO)C1.
What is the InChIKey of N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is LNMWQJWGRJKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-9-4-2-6-11(8-9)15(13,14)10-5-3-7-12/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide?
N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43501573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).