N-(piperidin-4-ylmethyl)propane-2-sulfonamide

C9H20N2O2S — CID 58735540

IUPACN-(piperidin-4-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)14(12,13)11-7-9-3-5-10-6-4-9/h8-11H,3-7H2,1-2H3
InChIKeyDPODGOBQAHRPCP-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.31
Rot. Bonds4

About N-(piperidin-4-ylmethyl)propane-2-sulfonamide

N-(piperidin-4-ylmethyl)propane-2-sulfonamide (PubChem CID 58735540) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)propane-2-sulfonamide
PubChem CID58735540
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(piperidin-4-ylmethyl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCNCC1
InChIInChI=1S/C9H20N2O2S/c1-8(2)14(12,13)11-7-9-3-5-10-6-4-9/h8-11H,3-7H2,1-2H3
InChIKeyDPODGOBQAHRPCP-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
The IUPAC name of N-(piperidin-4-ylmethyl)propane-2-sulfonamide (CID 58735540) is N-(piperidin-4-ylmethyl)propane-2-sulfonamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
The InChIKey is DPODGOBQAHRPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(2)14(12,13)11-7-9-3-5-10-6-4-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)propane-2-sulfonamide?
N-(piperidin-4-ylmethyl)propane-2-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)propane-2-sulfonamide is sourced from PubChem (CID 58735540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).