2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide

C11H22N2O3S — CID 113147921

IUPAC2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)6-7-12-11(14)8-13(10-4-5-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyBUELOJLAOCBZJN-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.57
Rot. Bonds7

About 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide

2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide (PubChem CID 113147921) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
PubChem CID113147921
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-9(2)6-7-12-11(14)8-13(10-4-5-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14)
InChIKeyBUELOJLAOCBZJN-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopentyl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113148836
2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 79123116
N-(3-methylbutyl)-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113150008
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113147868
3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
CID 113136242
2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 47010650
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
ethyl 4-[methylsulfonyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 113152648

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide (CID 113147921) is 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(C1CC1)S(C)(=O)=O.
What is the InChIKey of 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide?
The InChIKey is BUELOJLAOCBZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-9(2)6-7-12-11(14)8-13(10-4-5-10)17(3,15)16/h9-10H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide?
2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide has a molecular weight of 262.37 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methylsulfonyl)amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113147921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).