1-pentoxy-4-(sulfinoamino)benzene

C11H17NO3S — CID 69101346

IUPAC1-pentoxy-4-(sulfinoamino)benzene
SMILESCCCCCOc1ccc(NS(=O)O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-3-4-9-15-11-7-5-10(6-8-11)12-16(13)14/h5-8,12H,2-4,9H2,1H3,(H,13,14)
InChIKeyMYRHXILMVFFXTD-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.80
Rot. Bonds7

About 1-pentoxy-4-(sulfinoamino)benzene

1-pentoxy-4-(sulfinoamino)benzene (PubChem CID 69101346) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-pentoxy-4-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-pentoxy-4-(sulfinoamino)benzene
PubChem CID69101346
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-pentoxy-4-(sulfinoamino)benzene
SMILESCCCCCOc1ccc(NS(=O)O)cc1
InChIInChI=1S/C11H17NO3S/c1-2-3-4-9-15-11-7-5-10(6-8-11)12-16(13)14/h5-8,12H,2-4,9H2,1H3,(H,13,14)
InChIKeyMYRHXILMVFFXTD-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-pentoxy-4-(sulfinoamino)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
CID 57062457
1,4-dipentoxybenzene
CID 18314717
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
4-hexoxy-N-methylaniline
CID 54803445
2-(4-pentoxyanilino)acetic acid
CID 15310380
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
4-(4-tetradecoxyanilino)phenol
CID 174780996
N-(4-decoxyphenyl)butanamide
CID 143303175
4-pentoxybenzenesulfinamide
CID 22709300
1-dodecoxy-4-[(S)-methylsulfinyl]benzene
CID 98141576

Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-4-(sulfinoamino)benzene?
The IUPAC name of 1-pentoxy-4-(sulfinoamino)benzene (CID 69101346) is 1-pentoxy-4-(sulfinoamino)benzene.
What is the SMILES notation for 1-pentoxy-4-(sulfinoamino)benzene?
The canonical SMILES for 1-pentoxy-4-(sulfinoamino)benzene is CCCCCOc1ccc(NS(=O)O)cc1.
What is the InChIKey of 1-pentoxy-4-(sulfinoamino)benzene?
The InChIKey is MYRHXILMVFFXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-3-4-9-15-11-7-5-10(6-8-11)12-16(13)14/h5-8,12H,2-4,9H2,1H3,(H,13,14).
What are the key properties of 1-pentoxy-4-(sulfinoamino)benzene?
1-pentoxy-4-(sulfinoamino)benzene has a molecular weight of 243.33 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-4-(sulfinoamino)benzene is sourced from PubChem (CID 69101346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).