1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide

C16H21FN2O3S — CID 118232605

IUPAC1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide
SMILESC[C@H]1CCCS(=O)(=O)N1Cc1ccc(C2(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H21FN2O3S/c1-11-3-2-8-23(21,22)19(11)10-12-4-5-13(9-14(12)17)16(6-7-16)15(18)20/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyPKPRDAPRBQIVGV-NSHDSACASA-N
MW340.42 g/mol
LogP1.66
Rot. Bonds4

About 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide

1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 118232605) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID118232605
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC Name1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide
SMILESC[C@H]1CCCS(=O)(=O)N1Cc1ccc(C2(C(N)=O)CC2)cc1F
InChIInChI=1S/C16H21FN2O3S/c1-11-3-2-8-23(21,22)19(11)10-12-4-5-13(9-14(12)17)16(6-7-16)15(18)20/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,20)/t11-/m0/s1
InChIKeyPKPRDAPRBQIVGV-NSHDSACASA-N
XLogP1.66
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

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CID 118223101
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2-[4-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
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US10059668, Example 30
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US10059668, Example 46
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US10059668, Example 47
CID 129098169
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N-cyclopropylsulfonyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
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1-(4-tert-butylphenyl)-N-(2-sulfamoylethyl)cyclopropane-1-carboxamide
CID 53593303
[1-[2-(2-Fluorophenyl)-2-methylpropanoyl]piperidin-4-yl]methanesulfonamide
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CID 91911369

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide (CID 118232605) is 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide is C[C@H]1CCCS(=O)(=O)N1Cc1ccc(C2(C(N)=O)CC2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is PKPRDAPRBQIVGV-NSHDSACASA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-11-3-2-8-23(21,22)19(11)10-12-4-5-13(9-14(12)17)16(6-7-16)15(18)20/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,20)/t11-/m0/s1.
What are the key properties of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide?
1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118232605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).