2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide

C11H22N2O3S — CID 114232575

IUPAC2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide
SMILESCCC(C)NCCS(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H22N2O3S/c1-3-9(2)12-6-7-17(15,16)8-11(14)13-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVEUXSZVGBRSVLB-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds8

About 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide

2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide (PubChem CID 114232575) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide
PubChem CID114232575
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide
SMILESCCC(C)NCCS(=O)(=O)CC(=O)NC1CC1
InChIInChI=1S/C11H22N2O3S/c1-3-9(2)12-6-7-17(15,16)8-11(14)13-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyVEUXSZVGBRSVLB-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-propan-2-ylsulfonylacetamide
CID 87023654
2-[2-(1-cyclopropylethylamino)ethylsulfonyl]-N-ethylacetamide
CID 114232524
2-(butan-2-ylamino)-N-(4-hydroxycyclohexyl)acetamide
CID 60852285
N-cyclopropyl-2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfonylacetamide
CID 114232785
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699
2-but-2-enylsulfonyl-N-cyclopropylacetamide
CID 76865490
2-[2-(cyclopentylamino)ethylsulfonyl]-N-propan-2-ylacetamide
CID 114232564
1-butan-2-yl-3-cyclopropylurea
CID 45366532
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
3-[2-(cyclopropylamino)-2-oxoethyl]sulfonylbutanoic acid
CID 66114123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide (CID 114232575) is 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide is CCC(C)NCCS(=O)(=O)CC(=O)NC1CC1.
What is the InChIKey of 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide?
The InChIKey is VEUXSZVGBRSVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-3-9(2)12-6-7-17(15,16)8-11(14)13-10-4-5-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide?
2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butan-2-ylamino)ethylsulfonyl]-N-cyclopropylacetamide is sourced from PubChem (CID 114232575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).