[propyl(sulfino)amino]methylbenzene

C10H15NO2S — CID 57043220

IUPAC[propyl(sulfino)amino]methylbenzene
SMILESCCCN(Cc1ccccc1)S(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-8-11(14(12)13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKeyCLGDZJCFILZFIG-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.04
Rot. Bonds5

About [propyl(sulfino)amino]methylbenzene

[propyl(sulfino)amino]methylbenzene (PubChem CID 57043220) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is [propyl(sulfino)amino]methylbenzene.

Molecular Properties

Compound Name[propyl(sulfino)amino]methylbenzene
PubChem CID57043220
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name[propyl(sulfino)amino]methylbenzene
SMILESCCCN(Cc1ccccc1)S(=O)O
InChIInChI=1S/C10H15NO2S/c1-2-8-11(14(12)13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
InChIKeyCLGDZJCFILZFIG-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-propylaniline
CID 14671265
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
sodium;benzoic acid;1-[propyl(sulfinato)amino]propane
CID 174466229
3-(dibenzylamino)propane-1-sulfinic acid
CID 58794610
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
benzyl(propyl)carbamodithioic acid
CID 154265529
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109148640
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-benzyl-2-ethoxy-N-propylacetamide
CID 60655890

Frequently Asked Questions

What is the IUPAC name of [propyl(sulfino)amino]methylbenzene?
The IUPAC name of [propyl(sulfino)amino]methylbenzene (CID 57043220) is [propyl(sulfino)amino]methylbenzene.
What is the SMILES notation for [propyl(sulfino)amino]methylbenzene?
The canonical SMILES for [propyl(sulfino)amino]methylbenzene is CCCN(Cc1ccccc1)S(=O)O.
What is the InChIKey of [propyl(sulfino)amino]methylbenzene?
The InChIKey is CLGDZJCFILZFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-8-11(14(12)13)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13).
What are the key properties of [propyl(sulfino)amino]methylbenzene?
[propyl(sulfino)amino]methylbenzene has a molecular weight of 213.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [propyl(sulfino)amino]methylbenzene is sourced from PubChem (CID 57043220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).