3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide

C8H18N2O3S — CID 103308114

IUPAC3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide
SMILESCC(C)S(=O)(=O)NC(=O)CC(C)(C)N
InChIInChI=1S/C8H18N2O3S/c1-6(2)14(12,13)10-7(11)5-8(3,4)9/h6H,5,9H2,1-4H3,(H,10,11)
InChIKeyIDRQWHBUKGZREZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.03
Rot. Bonds4

About 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide

3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide (PubChem CID 103308114) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide
PubChem CID103308114
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide
SMILESCC(C)S(=O)(=O)NC(=O)CC(C)(C)N
InChIInChI=1S/C8H18N2O3S/c1-6(2)14(12,13)10-7(11)5-8(3,4)9/h6H,5,9H2,1-4H3,(H,10,11)
InChIKeyIDRQWHBUKGZREZ-UHFFFAOYSA-N
XLogP-0.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide?
The IUPAC name of 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide (CID 103308114) is 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide.
What is the SMILES notation for 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide?
The canonical SMILES for 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide is CC(C)S(=O)(=O)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide?
The InChIKey is IDRQWHBUKGZREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-6(2)14(12,13)10-7(11)5-8(3,4)9/h6H,5,9H2,1-4H3,(H,10,11).
What are the key properties of 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide?
3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide has a molecular weight of 222.31 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-propan-2-ylsulfonylbutanamide is sourced from PubChem (CID 103308114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).