N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide

C16H21FN2O3S — CID 99577019

IUPACN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21FN2O3S/c17-15-10-18-8-6-14(15)16(20)19(12-4-2-1-3-5-12)13-7-9-23(21,22)11-13/h6,8,10,12-13H,1-5,7,9,11H2/t13-/m0/s1
InChIKeyDCHCWUJSSWQNHH-ZDUSSCGKSA-N
MW340.42 g/mol
LogP2.18
Rot. Bonds3

About N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide

N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 99577019) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
PubChem CID99577019
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C16H21FN2O3S/c17-15-10-18-8-6-14(15)16(20)19(12-4-2-1-3-5-12)13-7-9-23(21,22)11-13/h6,8,10,12-13H,1-5,7,9,11H2/t13-/m0/s1
InChIKeyDCHCWUJSSWQNHH-ZDUSSCGKSA-N
XLogP2.18
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-cyclohexyl-3-fluoro-N-methylpyridine-4-carboxamide
CID 115645270
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115646013
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methoxybenzamide
CID 136531983
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7889742
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-fluoro-2-methylbenzamide
CID 75868233
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-3-carboxamide
CID 99577852
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873265

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide (CID 99577019) is N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide is O=C(c1ccncc1F)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is DCHCWUJSSWQNHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c17-15-10-18-8-6-14(15)16(20)19(12-4-2-1-3-5-12)13-7-9-23(21,22)11-13/h6,8,10,12-13H,1-5,7,9,11H2/t13-/m0/s1.
What are the key properties of N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide?
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 99577019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).