(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide

C14H21N3O2S2 — CID 129473013

IUPAC(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CSCCS2)cn1
InChIInChI=1S/C14H21N3O2S2/c1-2-17-8-10(7-15-17)13-11(3-4-19-13)16-14(18)12-9-20-5-6-21-12/h7-8,11-13H,2-6,9H2,1H3,(H,16,18)/t11-,12-,13+/m0/s1
InChIKeyRUUWWAJIRCZBSW-RWMBFGLXSA-N
MW327.48 g/mol
LogP1.70
Rot. Bonds4

About (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide

(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide (PubChem CID 129473013) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
PubChem CID129473013
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CSCCS2)cn1
InChIInChI=1S/C14H21N3O2S2/c1-2-17-8-10(7-15-17)13-11(3-4-19-13)16-14(18)12-9-20-5-6-21-12/h7-8,11-13H,2-6,9H2,1H3,(H,16,18)/t11-,12-,13+/m0/s1
InChIKeyRUUWWAJIRCZBSW-RWMBFGLXSA-N
XLogP1.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 129336877
2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006245
4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
CID 129001553
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)oxolane-3-carboxamide
CID 128996390
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide (CID 129473013) is (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide is CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CSCCS2)cn1.
What is the InChIKey of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide?
The InChIKey is RUUWWAJIRCZBSW-RWMBFGLXSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-2-17-8-10(7-15-17)13-11(3-4-19-13)16-14(18)12-9-20-5-6-21-12/h7-8,11-13H,2-6,9H2,1H3,(H,16,18)/t11-,12-,13+/m0/s1.
What are the key properties of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide?
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide has a molecular weight of 327.48 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 129473013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).