2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide

C10H22N2O3S — CID 82180307

IUPAC2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O3S/c1-9(2)7-12-10(13)8-16(14,15)6-4-3-5-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyOFNIEGRLTJJEQS-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds8

About 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide

2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide (PubChem CID 82180307) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
PubChem CID82180307
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CS(=O)(=O)CCCCN
InChIInChI=1S/C10H22N2O3S/c1-9(2)7-12-10(13)8-16(14,15)6-4-3-5-11/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyOFNIEGRLTJJEQS-UHFFFAOYSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
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

6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
2-(3-aminopropylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81187001
2-(4-aminobutylsulfonylamino)-N-(2-methylpropyl)propanamide
CID 113406861
2-(2-aminoethylsulfonyl)-N-(3-methylbutan-2-yl)acetamide
CID 81174763
5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
CID 104685574
2-(2-aminoethylsulfonyl)-N-butylacetamide
CID 79015229
2-(4-aminobutylsulfonyl)-N-(oxolan-2-ylmethyl)acetamide
CID 82180306
5-(3-methylbutylsulfonyl)pentan-1-amine
CID 107767380
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide (CID 82180307) is 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CS(=O)(=O)CCCCN.
What is the InChIKey of 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide?
The InChIKey is OFNIEGRLTJJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(2)7-12-10(13)8-16(14,15)6-4-3-5-11/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide?
2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82180307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).