2-[propyl(sulfino)amino]thiophene

C7H11NO2S2 — CID 90712855

IUPAC2-[propyl(sulfino)amino]thiophene
SMILESCCCN(c1cccs1)S(=O)O
InChIInChI=1S/C7H11NO2S2/c1-2-5-8(12(9)10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)
InChIKeyIUEUYVBBRWAISJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds4

About 2-[propyl(sulfino)amino]thiophene

2-[propyl(sulfino)amino]thiophene (PubChem CID 90712855) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[propyl(sulfino)amino]thiophene.

Molecular Properties

Compound Name2-[propyl(sulfino)amino]thiophene
PubChem CID90712855
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name2-[propyl(sulfino)amino]thiophene
SMILESCCCN(c1cccs1)S(=O)O
InChIInChI=1S/C7H11NO2S2/c1-2-5-8(12(9)10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10)
InChIKeyIUEUYVBBRWAISJ-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexyl(thiophen-2-yl)carbamic acid
CID 174246843
propyl N-hexyl-N-thiophen-2-ylcarbamate
CID 57253671
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
[dodecyl(sulfino)amino]benzene
CID 57109853
1,1,3,3-tetrathiophen-2-ylurea
CID 19774771
[propyl(sulfino)amino]methylbenzene
CID 57043220
6-[butanoyl(thiophen-2-yl)amino]hexanoic acid
CID 57198799
2-[[3-(diethylcarbamoyl)phenyl]methyl-sulfinatoamino]thiophene
CID 68822740
N'-methyl-N'-thiophen-2-ylethane-1,2-diamine
CID 96634753
2-carbonochloridoyl-1-chloro-3-fluoro-4-[propyl(sulfino)amino]benzene
CID 91571740
2-[methyl(thiophen-2-yl)carbamoyl]propanedioic acid
CID 175014913
2-methyl-4-[methyl(thiophen-2-yl)amino]-4-oxobutanoic acid
CID 115164997

Frequently Asked Questions

What is the IUPAC name of 2-[propyl(sulfino)amino]thiophene?
The IUPAC name of 2-[propyl(sulfino)amino]thiophene (CID 90712855) is 2-[propyl(sulfino)amino]thiophene.
What is the SMILES notation for 2-[propyl(sulfino)amino]thiophene?
The canonical SMILES for 2-[propyl(sulfino)amino]thiophene is CCCN(c1cccs1)S(=O)O.
What is the InChIKey of 2-[propyl(sulfino)amino]thiophene?
The InChIKey is IUEUYVBBRWAISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c1-2-5-8(12(9)10)7-4-3-6-11-7/h3-4,6H,2,5H2,1H3,(H,9,10).
What are the key properties of 2-[propyl(sulfino)amino]thiophene?
2-[propyl(sulfino)amino]thiophene has a molecular weight of 205.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(sulfino)amino]thiophene is sourced from PubChem (CID 90712855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).