1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene

C10H14N2O2S — CID 162715658

IUPAC1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene
SMILESNc1ccccc1N(CC1CC1)S(=O)O
InChIInChI=1S/C10H14N2O2S/c11-9-3-1-2-4-10(9)12(15(13)14)7-8-5-6-8/h1-4,8H,5-7,11H2,(H,13,14)
InChIKeyBYJBRZWVIDMJHF-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.62
Rot. Bonds4

About 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene

1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene (PubChem CID 162715658) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene.

Molecular Properties

Compound Name1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene
PubChem CID162715658
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene
SMILESNc1ccccc1N(CC1CC1)S(=O)O
InChIInChI=1S/C10H14N2O2S/c11-9-3-1-2-4-10(9)12(15(13)14)7-8-5-6-8/h1-4,8H,5-7,11H2,(H,13,14)
InChIKeyBYJBRZWVIDMJHF-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene?
The IUPAC name of 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene (CID 162715658) is 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene.
What is the SMILES notation for 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene?
The canonical SMILES for 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene is Nc1ccccc1N(CC1CC1)S(=O)O.
What is the InChIKey of 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene?
The InChIKey is BYJBRZWVIDMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-3-1-2-4-10(9)12(15(13)14)7-8-5-6-8/h1-4,8H,5-7,11H2,(H,13,14).
What are the key properties of 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene?
1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene has a molecular weight of 226.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[cyclopropylmethyl(sulfino)amino]benzene is sourced from PubChem (CID 162715658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).