2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide

C13H24N4O2S — CID 62156997

IUPAC2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C13H24N4O2S/c1-11(2)17(3)10-5-4-9-16-20(18,19)12-7-6-8-15-13(12)14/h6-8,11,16H,4-5,9-10H2,1-3H3,(H2,14,15)
InChIKeyVOPFZZGWXFBKEW-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.06
Rot. Bonds8

About 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide

2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide (PubChem CID 62156997) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
PubChem CID62156997
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide
SMILESCC(C)N(C)CCCCNS(=O)(=O)c1cccnc1N
InChIInChI=1S/C13H24N4O2S/c1-11(2)17(3)10-5-4-9-16-20(18,19)12-7-6-8-15-13(12)14/h6-8,11,16H,4-5,9-10H2,1-3H3,(H2,14,15)
InChIKeyVOPFZZGWXFBKEW-UHFFFAOYSA-N
XLogP1.06
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-3-sulfonamide
CID 62641127
2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
2-amino-N-(3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 63962498
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
N-[2-[(2-amino-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 62146437
2-[(2-amino-3-pyridinyl)sulfonylamino]-N-propan-2-ylacetamide
CID 62146480
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-amino-N-(3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 62144955
2-amino-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 107212659
2-amino-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 65427987

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide (CID 62156997) is 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide is CC(C)N(C)CCCCNS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
The InChIKey is VOPFZZGWXFBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)17(3)10-5-4-9-16-20(18,19)12-7-6-8-15-13(12)14/h6-8,11,16H,4-5,9-10H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide?
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62156997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).