N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C13H22N2O4S2 — CID 62522087

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCC(CC)(CO)NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H22N2O4S2/c1-4-13(5-2,10-16)14-11(17)9-15(3)21(18,19)12-7-6-8-20-12/h6-8,16H,4-5,9-10H2,1-3H3,(H,14,17)
InChIKeyGKYZEFMECOFTSE-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.04
Rot. Bonds8

About N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 62522087) has the molecular formula C13H22N2O4S2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID62522087
Molecular FormulaC13H22N2O4S2
Molecular Weight334.46 g/mol
Exact Mass334.10
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCC(CC)(CO)NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H22N2O4S2/c1-4-13(5-2,10-16)14-11(17)9-15(3)21(18,19)12-7-6-8-20-12/h6-8,16H,4-5,9-10H2,1-3H3,(H,14,17)
InChIKeyGKYZEFMECOFTSE-UHFFFAOYSA-N
XLogP1.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 51307237
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 79255670
N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115770771
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 114751616

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 62522087) is N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CCC(CC)(CO)NC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is GKYZEFMECOFTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S2/c1-4-13(5-2,10-16)14-11(17)9-15(3)21(18,19)12-7-6-8-20-12/h6-8,16H,4-5,9-10H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 62522087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).