N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide

C12H25N3O3S — CID 119732749

IUPACN-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-8-19(17,18)14-11-4-6-15(7-5-11)12(16)9-10(2)13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyLOJDNZCCLDKQHG-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.04
Rot. Bonds6

About N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide

N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 119732749) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID119732749
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)CC(C)N)CC1
InChIInChI=1S/C12H25N3O3S/c1-3-8-19(17,18)14-11-4-6-15(7-5-11)12(16)9-10(2)13/h10-11,14H,3-9,13H2,1-2H3
InChIKeyLOJDNZCCLDKQHG-UHFFFAOYSA-N
XLogP0.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751
N-[1-(4-oxopentanoyl)piperidin-4-yl]ethanesulfonamide
CID 65415873
N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
4-(3-aminobutanoyl)piperazine-1-sulfonamide
CID 61042216
N-[1-(3-aminobutanoyl)piperidin-3-yl]methanesulfonamide
CID 54871310
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide;hydrochloride
CID 119732750
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide (CID 119732749) is N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)CC(C)N)CC1.
What is the InChIKey of N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is LOJDNZCCLDKQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-3-8-19(17,18)14-11-4-6-15(7-5-11)12(16)9-10(2)13/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide?
N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 119732749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).