2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide

C11H24N2O3S — CID 113147725

IUPAC2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-6-7-8-12-11(14)9-13(10(2)3)17(4,15)16/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyAYBFPCLHIIPTQD-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.96
Rot. Bonds8

About 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide

2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide (PubChem CID 113147725) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
PubChem CID113147725
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C11H24N2O3S/c1-5-6-7-8-12-11(14)9-13(10(2)3)17(4,15)16/h10H,5-9H2,1-4H3,(H,12,14)
InChIKeyAYBFPCLHIIPTQD-UHFFFAOYSA-N
XLogP0.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
CID 113156608
2-(dimethylamino)-N-octadecylacetamide;ethane
CID 90860669
4-(octadecylamino)-4-oxobutane-2-sulfonic acid
CID 175305712
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147701
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-pentylacetamide
CID 113154007
1-methyl-1-[(2S,3R)-3-methylsulfonylbutan-2-yl]-3-pentylurea
CID 97027567
N-butyl-N'-pentylpropanediamide
CID 89202031
2-[acetyl(methyl)amino]-N-dodecylacetamide
CID 154143762
2-[acetyl(methyl)amino]-N-hexylacetamide
CID 71897485
1-amino-4-(dodecylamino)-4-oxobutane-1-sulfonic acid
CID 154356548

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide?
The IUPAC name of 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide (CID 113147725) is 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide?
The canonical SMILES for 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide is CCCCCNC(=O)CN(C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide?
The InChIKey is AYBFPCLHIIPTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-5-6-7-8-12-11(14)9-13(10(2)3)17(4,15)16/h10H,5-9H2,1-4H3,(H,12,14).
What are the key properties of 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide?
2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide has a molecular weight of 264.39 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(propan-2-yl)amino]-N-pentylacetamide is sourced from PubChem (CID 113147725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).