3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide

C10H23N3O2S — CID 114503363

IUPAC3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O2S/c1-9-8-13(2)6-4-10(9)12-16(14,15)7-3-5-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyRLQBVQCEORJCCI-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.41
Rot. Bonds5

About 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide

3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide (PubChem CID 114503363) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
PubChem CID114503363
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)CCCN
InChIInChI=1S/C10H23N3O2S/c1-9-8-13(2)6-4-10(9)12-16(14,15)7-3-5-11/h9-10,12H,3-8,11H2,1-2H3
InChIKeyRLQBVQCEORJCCI-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 106083082
2-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]acetic acid
CID 114503113
3-amino-N-(2,3-dimethylcyclohexyl)propane-1-sulfonamide
CID 60909960
1-[3-(aminomethyl)phenyl]-N-(1,3-dimethylpiperidin-4-yl)methanesulfonamide
CID 114503359
4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503351
2-amino-N-(2-methylcyclopentyl)ethanesulfonamide
CID 63281586
3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
CID 54963947
3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503347
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
CID 103902206
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 106919626
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
CID 106083043
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide (CID 114503363) is 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide is CC1CN(C)CCC1NS(=O)(=O)CCCN.
What is the InChIKey of 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
The InChIKey is RLQBVQCEORJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-9-8-13(2)6-4-10(9)12-16(14,15)7-3-5-11/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide?
3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 114503363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).