2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide

C11H22N2O3S2 — CID 102862554

IUPAC2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H22N2O3S2/c1-2-10(11(12)17)18(15,16)13(7-4-8-14)9-5-3-6-9/h9-10,14H,2-8H2,1H3,(H2,12,17)
InChIKeyHUVCPQZQBQSRQV-UHFFFAOYSA-N
MW294.44 g/mol
LogP0.62
Rot. Bonds8

About 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide

2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide (PubChem CID 102862554) has the molecular formula C11H22N2O3S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
PubChem CID102862554
Molecular FormulaC11H22N2O3S2
Molecular Weight294.44 g/mol
Exact Mass294.11
IUPAC Name2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)N(CCCO)C1CCC1
InChIInChI=1S/C11H22N2O3S2/c1-2-10(11(12)17)18(15,16)13(7-4-8-14)9-5-3-6-9/h9-10,14H,2-8H2,1H3,(H2,12,17)
InChIKeyHUVCPQZQBQSRQV-UHFFFAOYSA-N
XLogP0.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-(3-hydroxypropyl)ethanesulfonamide
CID 102847467
1-amino-N-cyclobutyl-N-(2-hydroxyethyl)butane-2-sulfonamide
CID 102861394
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
N-cyclobutyl-N-(2-hydroxyethyl)propane-2-sulfonamide
CID 102675881
N-cyclobutyl-N-(3-hydroxypropyl)-2,2-dimethylpropane-1-sulfonamide
CID 102867543
3-[[3-aminopropyl(methyl)sulfamoyl]-cyclobutylamino]propan-1-ol
CID 102861380
1-amino-1-sulfanylidenebutane-2-sulfonic acid
CID 151185934
2-[cyclobutyl(3-hydroxypropyl)amino]propanamide
CID 102858549
2-carbamothioyl-N-cyclobutyl-N-(2-hydroxyethyl)butanamide
CID 102862520
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 102847521
N-[5-[cyclobutyl(3-hydroxypropyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 102867499
2-[cyclobutyl(3-hydroxypropyl)amino]butanehydrazide
CID 102873674

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide?
The IUPAC name of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide (CID 102862554) is 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide?
The canonical SMILES for 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)N(CCCO)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide?
The InChIKey is HUVCPQZQBQSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S2/c1-2-10(11(12)17)18(15,16)13(7-4-8-14)9-5-3-6-9/h9-10,14H,2-8H2,1H3,(H2,12,17).
What are the key properties of 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide?
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide has a molecular weight of 294.44 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]butanethioamide is sourced from PubChem (CID 102862554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).