3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide

C11H25N3O2S — CID 54963947

IUPAC3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)CCCN)CC1
InChIInChI=1S/C11H25N3O2S/c1-2-7-14-8-4-11(5-9-14)13-17(15,16)10-3-6-12/h11,13H,2-10,12H2,1H3
InChIKeyYJYHCCIAOMIMPA-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.13
Rot. Bonds7

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

3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide (PubChem CID 54963947) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
PubChem CID54963947
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide
SMILESCCCN1CCC(NS(=O)(=O)CCCN)CC1
InChIInChI=1S/C11H25N3O2S/c1-2-7-14-8-4-11(5-9-14)13-17(15,16)10-3-6-12/h11,13H,2-10,12H2,1H3
InChIKeyYJYHCCIAOMIMPA-UHFFFAOYSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide
CID 120847871
N-[1-(2-aminoethyl)piperidin-4-yl]-1-methylsulfonylmethanesulfonamide
CID 82840219
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 120847870
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
N-cyclopropylhexane-1-sulfonamide
CID 67119181
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
N-[4-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 68898541
3-amino-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 114503363
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide (CID 54963947) is 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide is CCCN1CCC(NS(=O)(=O)CCCN)CC1.
What is the InChIKey of 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide?
The InChIKey is YJYHCCIAOMIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-2-7-14-8-4-11(5-9-14)13-17(15,16)10-3-6-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide?
3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-propylpiperidin-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 54963947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).