2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide

C11H22N2O2S2 — CID 112746946

IUPAC2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide
SMILESCC(C)N(CC(N)=S)S(=O)(=O)CCC1CCC1
InChIInChI=1S/C11H22N2O2S2/c1-9(2)13(8-11(12)16)17(14,15)7-6-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H2,12,16)
InChIKeyDLHCVDOEASYCCS-UHFFFAOYSA-N
MW278.44 g/mol
LogP1.50
Rot. Bonds7

About 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide

2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide (PubChem CID 112746946) has the molecular formula C11H22N2O2S2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide
PubChem CID112746946
Molecular FormulaC11H22N2O2S2
Molecular Weight278.44 g/mol
Exact Mass278.11
IUPAC Name2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide
SMILESCC(C)N(CC(N)=S)S(=O)(=O)CCC1CCC1
InChIInChI=1S/C11H22N2O2S2/c1-9(2)13(8-11(12)16)17(14,15)7-6-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H2,12,16)
InChIKeyDLHCVDOEASYCCS-UHFFFAOYSA-N
XLogP1.50
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
CID 112747022
2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide
CID 65458741
3-[cyclohexylmethylsulfonyl(propan-2-yl)amino]propanethioamide
CID 54998240
2-[cyclohexylmethylsulfonyl(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77037895
2-[2-cyclobutylethylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 112747021
2-[2-cyclohexylethyl(cyclopentyl)amino]ethanethioamide
CID 114191209
methyl N-[(2-amino-2-sulfanylideneethyl)-propan-2-ylsulfamoyl]carbamate
CID 114463668
2-[cyclopropylmethylsulfonyl(ethyl)amino]ethanethioamide
CID 64987502
3-[3-methoxypropylsulfonyl(propan-2-yl)amino]propanethioamide
CID 55171154
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
1-cyclohexyl-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
CID 54947469
N-(2-hydroxypropyl)-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 55061183

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide?
The IUPAC name of 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide (CID 112746946) is 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide.
What is the SMILES notation for 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide?
The canonical SMILES for 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide is CC(C)N(CC(N)=S)S(=O)(=O)CCC1CCC1.
What is the InChIKey of 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide?
The InChIKey is DLHCVDOEASYCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S2/c1-9(2)13(8-11(12)16)17(14,15)7-6-10-4-3-5-10/h9-10H,3-8H2,1-2H3,(H2,12,16).
What are the key properties of 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide?
2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide has a molecular weight of 278.44 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclobutylethylsulfonyl(propan-2-yl)amino]ethanethioamide is sourced from PubChem (CID 112746946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).