N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C16H25N3O3S — CID 119408692

IUPACN-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN)cc1
InChIInChI=1S/C16H25N3O3S/c1-13-5-2-3-12-19(13)23(21,22)15-8-6-14(7-9-15)16(20)18-11-4-10-17/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20)
InChIKeyMENUSYLIQVQUBN-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.33
Rot. Bonds6

About N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 119408692) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID119408692
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN)cc1
InChIInChI=1S/C16H25N3O3S/c1-13-5-2-3-12-19(13)23(21,22)15-8-6-14(7-9-15)16(20)18-11-4-10-17/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20)
InChIKeyMENUSYLIQVQUBN-UHFFFAOYSA-N
XLogP1.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
N-(1-amino-2-methylpropan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119524840
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-[2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]ethyl]pyridine-4-carboxamide
CID 110291796
N-[2-(methylamino)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120832996
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
4-(2-methylpiperidin-1-yl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55657177
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 46431882
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
4-(2-methylpiperidin-1-yl)sulfonyl-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 55535664
methyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 787656

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 119408692) is N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is MENUSYLIQVQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13-5-2-3-12-19(13)23(21,22)15-8-6-14(7-9-15)16(20)18-11-4-10-17/h6-9,13H,2-5,10-12,17H2,1H3,(H,18,20).
What are the key properties of N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 339.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 119408692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).