3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide

C12H24N2O3S — CID 65264497

IUPAC3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(2,12(3,4)13)10(15)14-9-5-7-18(16,17)8-6-9/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyDYCJMZBANXCPJT-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.44
Rot. Bonds3

About 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide

3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide (PubChem CID 65264497) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide
PubChem CID65264497
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H24N2O3S/c1-11(2,12(3,4)13)10(15)14-9-5-7-18(16,17)8-6-9/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKeyDYCJMZBANXCPJT-UHFFFAOYSA-N
XLogP0.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 65269836
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
CID 65264740
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
1-amino-3-(1,1-dioxothian-4-yl)-2-methylguanidine
CID 104882020
3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide
CID 142101132
3-amino-N-(2-hydroxycyclohexyl)-2,2,3-trimethylbutanamide
CID 65267153
2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169
2-amino-N-(1,1-dioxothian-3-yl)-2-methylbutanamide
CID 79811013
3-[tert-butyl-[(1,1-dioxothian-4-yl)carbamoyl]amino]propanoic acid
CID 61201640
1-butyl-3-(1,1-dioxothian-4-yl)urea
CID 115585815
2,2,2-trifluoroethyl N-(1,1-dioxothian-4-yl)carbamate
CID 65173289
1-amino-N-(1,1-dioxothian-4-yl)cyclopentane-1-carboxamide
CID 54925385

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide (CID 65264497) is 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide?
The InChIKey is DYCJMZBANXCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-11(2,12(3,4)13)10(15)14-9-5-7-18(16,17)8-6-9/h9H,5-8,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide?
3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide has a molecular weight of 276.40 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).