4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide

C12H18N2O3S2 — CID 81438293

IUPAC4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCS2)ccc1N
InChIInChI=1S/C12H18N2O3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h4-5,7,9,14H,2-3,6,8,13H2,1H3
InChIKeyWSEZFDMMWDDVJV-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.45
Rot. Bonds5

About 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide

4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 81438293) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID81438293
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCCS2)ccc1N
InChIInChI=1S/C12H18N2O3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h4-5,7,9,14H,2-3,6,8,13H2,1H3
InChIKeyWSEZFDMMWDDVJV-UHFFFAOYSA-N
XLogP1.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
5-amino-4-bromo-2-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81414086
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291
3-amino-4-nitro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 82848365
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
2-[(4-amino-3-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 81437936
N-(cycloheptylmethyl)-3,4-dimethoxybenzenesulfonamide
CID 3739924
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 81438293) is 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCC2CCCS2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is WSEZFDMMWDDVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-17-12-7-10(4-5-11(12)13)19(15,16)14-8-9-3-2-6-18-9/h4-5,7,9,14H,2-3,6,8,13H2,1H3.
What are the key properties of 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide?
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81438293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).