2-(benzylamino)propane-2-sulfonyl fluoride

C10H14FNO2S — CID 155141891

IUPAC2-(benzylamino)propane-2-sulfonyl fluoride
SMILESCC(C)(NCc1ccccc1)S(=O)(=O)F
InChIInChI=1S/C10H14FNO2S/c1-10(2,15(11,13)14)12-8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyNMSAIHVVMSAMRW-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.81
Rot. Bonds4

About 2-(benzylamino)propane-2-sulfonyl fluoride

2-(benzylamino)propane-2-sulfonyl fluoride (PubChem CID 155141891) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(benzylamino)propane-2-sulfonyl fluoride.

Molecular Properties

Compound Name2-(benzylamino)propane-2-sulfonyl fluoride
PubChem CID155141891
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC Name2-(benzylamino)propane-2-sulfonyl fluoride
SMILESCC(C)(NCc1ccccc1)S(=O)(=O)F
InChIInChI=1S/C10H14FNO2S/c1-10(2,15(11,13)14)12-8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyNMSAIHVVMSAMRW-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1,1-difluoroethanesulfonamide
CID 58435981
2-N-benzyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine
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methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
N-benzyl-2-methylpropan-2-amine;guanidine
CID 161475592
CID 70601747
CID 70601747
benzylsulfamic acid;ethane
CID 154691965
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
CID 115618466
N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 71604916
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)propane-2-sulfonyl fluoride?
The IUPAC name of 2-(benzylamino)propane-2-sulfonyl fluoride (CID 155141891) is 2-(benzylamino)propane-2-sulfonyl fluoride.
What is the SMILES notation for 2-(benzylamino)propane-2-sulfonyl fluoride?
The canonical SMILES for 2-(benzylamino)propane-2-sulfonyl fluoride is CC(C)(NCc1ccccc1)S(=O)(=O)F.
What is the InChIKey of 2-(benzylamino)propane-2-sulfonyl fluoride?
The InChIKey is NMSAIHVVMSAMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-10(2,15(11,13)14)12-8-9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3.
What are the key properties of 2-(benzylamino)propane-2-sulfonyl fluoride?
2-(benzylamino)propane-2-sulfonyl fluoride has a molecular weight of 231.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)propane-2-sulfonyl fluoride is sourced from PubChem (CID 155141891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).