N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide

C14H33N3O2S — CID 106010670

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C14H33N3O2S/c1-7-8-15-10-13(4)20(18,19)16-14(9-12(2)3)11-17(5)6/h12-16H,7-11H2,1-6H3
InChIKeyIJLYYODJENVBLB-UHFFFAOYSA-N
MW307.50 g/mol
LogP1.27
Rot. Bonds11

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide (PubChem CID 106010670) has the molecular formula C14H33N3O2S and a molecular weight of 307.50 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
PubChem CID106010670
Molecular FormulaC14H33N3O2S
Molecular Weight307.50 g/mol
Exact Mass307.23
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide
SMILESCCCNCC(C)S(=O)(=O)NC(CC(C)C)CN(C)C
InChIInChI=1S/C14H33N3O2S/c1-7-8-15-10-13(4)20(18,19)16-14(9-12(2)3)11-17(5)6/h12-16H,7-11H2,1-6H3
InChIKeyIJLYYODJENVBLB-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 51.27
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

1-(dimethylamino)-4-methyl-2-(sulfamoylamino)pentane
CID 112689006
N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
CID 106074397
N-(3,3-dimethylbutyl)-1-(propylamino)propane-2-sulfonamide
CID 114142376
2-N-(3-ethylsulfonylpropyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65093049
N-(2,3-dimethylcyclopentyl)-1-(propylamino)propane-2-sulfonamide
CID 106069157
1-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propane-2-sulfonamide
CID 114168215
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
2-cyclopentylsulfonyl-N-propylpropan-1-amine
CID 106512803
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403
2-methyl-N-propylpropan-1-amine
CID 520943
2-cyclohexylsulfonyl-N-propylpropan-1-amine
CID 106512987

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide (CID 106010670) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide is CCCNCC(C)S(=O)(=O)NC(CC(C)C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide?
The InChIKey is IJLYYODJENVBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O2S/c1-7-8-15-10-13(4)20(18,19)16-14(9-12(2)3)11-17(5)6/h12-16H,7-11H2,1-6H3.
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide has a molecular weight of 307.50 g/mol, XLogP of 1.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-1-(propylamino)propane-2-sulfonamide is sourced from PubChem (CID 106010670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).