N-tert-butylbenzenesulfinamide

C10H15NOS — CID 12030202

IUPACN-tert-butylbenzenesulfinamide
SMILESCC(C)(C)NS(=O)c1ccccc1
InChIInChI=1S/C10H15NOS/c1-10(2,3)11-13(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyIFMDLTCFHPRKDH-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.10
Rot. Bonds2

About N-tert-butylbenzenesulfinamide

N-tert-butylbenzenesulfinamide (PubChem CID 12030202) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-tert-butylbenzenesulfinamide.

Molecular Properties

Compound NameN-tert-butylbenzenesulfinamide
PubChem CID12030202
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-tert-butylbenzenesulfinamide
SMILESCC(C)(C)NS(=O)c1ccccc1
InChIInChI=1S/C10H15NOS/c1-10(2,3)11-13(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3
InChIKeyIFMDLTCFHPRKDH-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylbenzenesulfinamide?
The IUPAC name of N-tert-butylbenzenesulfinamide (CID 12030202) is N-tert-butylbenzenesulfinamide.
What is the SMILES notation for N-tert-butylbenzenesulfinamide?
The canonical SMILES for N-tert-butylbenzenesulfinamide is CC(C)(C)NS(=O)c1ccccc1.
What is the InChIKey of N-tert-butylbenzenesulfinamide?
The InChIKey is IFMDLTCFHPRKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)11-13(12)9-7-5-4-6-8-9/h4-8,11H,1-3H3.
What are the key properties of N-tert-butylbenzenesulfinamide?
N-tert-butylbenzenesulfinamide has a molecular weight of 197.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylbenzenesulfinamide is sourced from PubChem (CID 12030202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).