N-(1-methylpiperidin-3-yl)propane-1-sulfonamide

C9H20N2O2S — CID 61384296

IUPACN-(1-methylpiperidin-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C9H20N2O2S/c1-3-7-14(12,13)10-9-5-4-6-11(2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyYOUJQQZTYQMGKW-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds4

About N-(1-methylpiperidin-3-yl)propane-1-sulfonamide

N-(1-methylpiperidin-3-yl)propane-1-sulfonamide (PubChem CID 61384296) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)propane-1-sulfonamide
PubChem CID61384296
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(1-methylpiperidin-3-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCCN(C)C1
InChIInChI=1S/C9H20N2O2S/c1-3-7-14(12,13)10-9-5-4-6-11(2)8-9/h9-10H,3-8H2,1-2H3
InChIKeyYOUJQQZTYQMGKW-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylpiperidin-3-yl)sulfamoyl]butanoic acid
CID 61211429
3-chloro-2-methyl-N-(1-methylpiperidin-3-yl)propane-1-sulfonamide
CID 79585064
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
CID 61476840
N-(1-methylpiperidin-3-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106017805
N,1-dimethylpiperidin-3-amine;ethanol
CID 91223318
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
2-(ethylamino)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 62146904
4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
N-butan-2-yl-1-methylpiperidin-3-amine
CID 61211214
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-methylpiperidin-3-yl)propane-1-sulfonamide (CID 61384296) is N-(1-methylpiperidin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-methylpiperidin-3-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCCN(C)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
The InChIKey is YOUJQQZTYQMGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-7-14(12,13)10-9-5-4-6-11(2)8-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-3-yl)propane-1-sulfonamide?
N-(1-methylpiperidin-3-yl)propane-1-sulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 61384296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).