(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide

C8H18N2O3S — CID 58935363

IUPAC(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide
SMILESCC[C@H](NS(C)(=O)=O)C(=O)NC(C)C
InChIInChI=1S/C8H18N2O3S/c1-5-7(10-14(4,12)13)8(11)9-6(2)3/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1
InChIKeyRGAUEUPYEQHERK-ZETCQYMHSA-N
MW222.31 g/mol
LogP-0.16
Rot. Bonds5

About (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide

(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide (PubChem CID 58935363) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide
PubChem CID58935363
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide
SMILESCC[C@H](NS(C)(=O)=O)C(=O)NC(C)C
InChIInChI=1S/C8H18N2O3S/c1-5-7(10-14(4,12)13)8(11)9-6(2)3/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1
InChIKeyRGAUEUPYEQHERK-ZETCQYMHSA-N
XLogP-0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1815811
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CID 1815814
N-(sec-butyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 2984150
2-[methyl(methylsulfonyl)amino]-N-(2-methylpropyl)acetamide
CID 30464341
N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
CID 71941517
2-Amino-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 60939910
(2S)-N-cyclohexyl-2-[2-(methylsulfamoyl)ethylamino]butanamide
CID 95144032
(2S)-N-cyclopentyl-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 97069973
2-(methanesulfonamido)-3,3-dimethyl-N-(2-methylcyclopropyl)butanamide
CID 136516392
N-ethyl-4-[[2-(methylamino)acetyl]sulfamoyl]butanamide
CID 135037692
2-[3-(methanesulfonamido)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106336369

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide (CID 58935363) is (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide is CC[C@H](NS(C)(=O)=O)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide?
The InChIKey is RGAUEUPYEQHERK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-5-7(10-14(4,12)13)8(11)9-6(2)3/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide?
(2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide has a molecular weight of 222.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-N-propan-2-ylbutanamide is sourced from PubChem (CID 58935363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).