3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide

C12H26N2O3S — CID 113137004

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
SMILESCCC(C)N(CCC(=O)NCC(C)C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-6-11(4)14(18(5,16)17)8-7-12(15)13-9-10(2)3/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyIIAJKRDREXKAKV-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.21
Rot. Bonds8

About 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide

3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113137004) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113137004
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
SMILESCCC(C)N(CCC(=O)NCC(C)C)S(C)(=O)=O
InChIInChI=1S/C12H26N2O3S/c1-6-11(4)14(18(5,16)17)8-7-12(15)13-9-10(2)3/h10-11H,6-9H2,1-5H3,(H,13,15)
InChIKeyIIAJKRDREXKAKV-UHFFFAOYSA-N
XLogP1.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113137000
N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 164995161
3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113116111
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113137105
N-(2-methylpropyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143124
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113137107
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081
2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide
CID 113148629
N-butan-2-yl-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113137008
3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
3-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-methylpropyl)propanamide
CID 113138964

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide (CID 113137004) is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide is CCC(C)N(CCC(=O)NCC(C)C)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is IIAJKRDREXKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-6-11(4)14(18(5,16)17)8-7-12(15)13-9-10(2)3/h10-11H,6-9H2,1-5H3,(H,13,15).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 278.42 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113137004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).