N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide

C10H23N3O3S — CID 54952400

IUPACN-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H23N3O3S/c1-12(6-2-5-11)17(15,16)13-7-3-10(9-14)4-8-13/h10,14H,2-9,11H2,1H3
InChIKeyXVCASVAKXUGZOT-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.78
Rot. Bonds6

About N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide

N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 54952400) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID54952400
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCC(CO)CC1
InChIInChI=1S/C10H23N3O3S/c1-12(6-2-5-11)17(15,16)13-7-3-10(9-14)4-8-13/h10,14H,2-9,11H2,1H3
InChIKeyXVCASVAKXUGZOT-UHFFFAOYSA-N
XLogP-0.78
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide (CID 54952400) is N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCC(CO)CC1.
What is the InChIKey of N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is XVCASVAKXUGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-12(6-2-5-11)17(15,16)13-7-3-10(9-14)4-8-13/h10,14H,2-9,11H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 54952400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).