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

C10H22N2O3S — CID 89324211

IUPACN-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-6-9(4)11-10(13)7-12(8(2)3)16(5,14)15/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeySQRGYOCKOLKNPC-UHFFFAOYSA-N
MW250.36 g/mol
LogP0.57
Rot. Bonds6

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

N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 89324211) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID89324211
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCCC(C)NC(=O)CN(C(C)C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S/c1-6-9(4)11-10(13)7-12(8(2)3)16(5,14)15/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeySQRGYOCKOLKNPC-UHFFFAOYSA-N
XLogP0.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide (CID 89324211) is N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide is CCC(C)NC(=O)CN(C(C)C)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is SQRGYOCKOLKNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-6-9(4)11-10(13)7-12(8(2)3)16(5,14)15/h8-9H,6-7H2,1-5H3,(H,11,13).
What are the key properties of N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 250.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[methylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 89324211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).