2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide

C9H19N3O2S2 — CID 114808175

IUPAC2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)NC1CC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-3-9(4-2,8(10)15)12-16(13,14)11-7-5-6-7/h7,11-12H,3-6H2,1-2H3,(H2,10,15)
InChIKeyOFNWTTORJFSFKJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.42
Rot. Bonds7

About 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide

2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide (PubChem CID 114808175) has the molecular formula C9H19N3O2S2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide
PubChem CID114808175
Molecular FormulaC9H19N3O2S2
Molecular Weight265.40 g/mol
Exact Mass265.09
IUPAC Name2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)NC1CC1)C(N)=S
InChIInChI=1S/C9H19N3O2S2/c1-3-9(4-2,8(10)15)12-16(13,14)11-7-5-6-7/h7,11-12H,3-6H2,1-2H3,(H2,10,15)
InChIKeyOFNWTTORJFSFKJ-UHFFFAOYSA-N
XLogP0.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 114808169
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
2-Cyclopropyl-2-(diethylsulfamoylamino)ethanethioamide
CID 64419858
2-(Tert-butylsulfonylamino)-2-cyclopropylethanethioamide
CID 64420283
2-Cyclopropyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanethioamide
CID 64420491
2-N-(cyclopropylsulfamoyl)-2-ethylbutane-1,2-diamine
CID 114803674
2-(Cyclopropylsulfamoylamino)-2-methylpropanethioamide
CID 114808113
2-(Tert-butylsulfamoylamino)butanethioamide
CID 114808126
2-(Tert-butylsulfamoylamino)pentanethioamide
CID 114808133
2-(Cyclopropylsulfamoylamino)pentanethioamide
CID 114808134
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808139
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808140

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide?
The IUPAC name of 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide (CID 114808175) is 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide is CCC(CC)(NS(=O)(=O)NC1CC1)C(N)=S.
What is the InChIKey of 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide?
The InChIKey is OFNWTTORJFSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S2/c1-3-9(4-2,8(10)15)12-16(13,14)11-7-5-6-7/h7,11-12H,3-6H2,1-2H3,(H2,10,15).
What are the key properties of 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide?
2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide has a molecular weight of 265.40 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylsulfamoylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 114808175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).