4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide

C9H23N3O2S — CID 82945449

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)CCCCN
InChIInChI=1S/C9H23N3O2S/c1-9(8-12(2)3)11-15(13,14)7-5-4-6-10/h9,11H,4-8,10H2,1-3H3
InChIKeyBRMVACBJVVBRKR-UHFFFAOYSA-N
MW237.37 g/mol
LogP-0.41
Rot. Bonds8

About 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide

4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide (PubChem CID 82945449) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
PubChem CID82945449
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)CCCCN
InChIInChI=1S/C9H23N3O2S/c1-9(8-12(2)3)11-15(13,14)7-5-4-6-10/h9,11H,4-8,10H2,1-3H3
InChIKeyBRMVACBJVVBRKR-UHFFFAOYSA-N
XLogP-0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 5-0.41
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

4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
CID 61456565
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
CID 82939293
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222
2-(4-aminobutylsulfonylamino)-N-ethyl-N-methylpropanamide
CID 103108271
N-(5-aminopentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059740
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861
4-amino-N-(2-hydroxypropyl)-N-methylbutane-1-sulfonamide
CID 62333188
2-amino-N-heptan-2-ylethanesulfonamide
CID 61456790
2-amino-N-(1-methylsulfonylpropan-2-yl)ethanesulfonamide
CID 64631627
4-amino-N-[1-(5-methylfuran-2-yl)ethyl]butane-1-sulfonamide
CID 54958432
4-(2-aminoethyl)-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82945013

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide (CID 82945449) is 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide is CC(CN(C)C)NS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide?
The InChIKey is BRMVACBJVVBRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-9(8-12(2)3)11-15(13,14)7-5-4-6-10/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide has a molecular weight of 237.37 g/mol, XLogP of -0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 82945449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).