N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride

C11H15ClFNO2S — CID 56832435

IUPACN-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(NCc2ccccc2F)C1
InChIInChI=1S/C11H14FNO2S.ClH/c12-11-4-2-1-3-9(11)7-13-10-5-6-16(14,15)8-10;/h1-4,10,13H,5-8H2;1H
InChIKeyNFJVQEOOOOWUMT-UHFFFAOYSA-N
MW279.76 g/mol
LogP1.52
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride

N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride (PubChem CID 56832435) has the molecular formula C11H15ClFNO2S and a molecular weight of 279.76 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride
PubChem CID56832435
Molecular FormulaC11H15ClFNO2S
Molecular Weight279.76 g/mol
Exact Mass279.05
IUPAC NameN-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(NCc2ccccc2F)C1
InChIInChI=1S/C11H14FNO2S.ClH/c12-11-4-2-1-3-9(11)7-13-10-5-6-16(14,15)8-10;/h1-4,10,13H,5-8H2;1H
InChIKeyNFJVQEOOOOWUMT-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
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(R)-N-(2-((3-Fluorobenzyl)sulfonyl)ethyl)butan-2-amine
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N-benzyltetrahydrothiophen-3-amine 1,1-dioxide
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CID 3050852
3-(Phenethylamino)tetrahydrothiophene 1,1-dioxide
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N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 76321247
trans-3,4-Dibenzylaminothiolane 1,1-dioxide
CID 392713
(S)-N-(2((3-fluorobenzyl)sulfonyl)ethyl)butan-2-amine
CID 73053478
2-(4-Fluorophenyl)-1,3-thiazinane--hydrogen chloride (1/1)
CID 157290
Thiazolidine, 2-(m-fluorophenyl)-
CID 3050853
2-(4-Fluorophenyl)-2-methyl-1,3-thiazolidine
CID 3050892

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride (CID 56832435) is N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride is Cl.O=S1(=O)CCC(NCc2ccccc2F)C1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride?
The InChIKey is NFJVQEOOOOWUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S.ClH/c12-11-4-2-1-3-9(11)7-13-10-5-6-16(14,15)8-10;/h1-4,10,13H,5-8H2;1H.
What are the key properties of N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride?
N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride has a molecular weight of 279.76 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1,1-dioxothiolan-3-amine;hydrochloride is sourced from PubChem (CID 56832435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).