N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide

C8H18N2O3S — CID 30464345

IUPACN-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC[C@H](C)NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-5-7(2)9-8(11)6-10(3)14(4,12)13/h7H,5-6H2,1-4H3,(H,9,11)/t7-/m0/s1
InChIKeyVWHHTPGMWNSEAM-ZETCQYMHSA-N
MW222.31 g/mol
LogP-0.21
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 30464345) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID30464345
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC[C@H](C)NC(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C8H18N2O3S/c1-5-7(2)9-8(11)6-10(3)14(4,12)13/h7H,5-6H2,1-4H3,(H,9,11)/t7-/m0/s1
InChIKeyVWHHTPGMWNSEAM-ZETCQYMHSA-N
XLogP-0.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 30464345) is N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide is CC[C@H](C)NC(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is VWHHTPGMWNSEAM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-5-7(2)9-8(11)6-10(3)14(4,12)13/h7H,5-6H2,1-4H3,(H,9,11)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 222.31 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 30464345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).