(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide

C14H20N4O3S — CID 92632665

IUPAC(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCC2)CN(C(=O)c2csnn2)CCO1
InChIInChI=1S/C14H20N4O3S/c1-14(13(20)15-10-4-2-3-5-10)9-18(6-7-21-14)12(19)11-8-22-17-16-11/h8,10H,2-7,9H2,1H3,(H,15,20)/t14-/m0/s1
InChIKeyAPACTKQSZXIXPO-AWEZNQCLSA-N
MW324.41 g/mol
LogP0.83
Rot. Bonds3

About (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide

(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide (PubChem CID 92632665) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
PubChem CID92632665
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCC2)CN(C(=O)c2csnn2)CCO1
InChIInChI=1S/C14H20N4O3S/c1-14(13(20)15-10-4-2-3-5-10)9-18(6-7-21-14)12(19)11-8-22-17-16-11/h8,10H,2-7,9H2,1H3,(H,15,20)/t14-/m0/s1
InChIKeyAPACTKQSZXIXPO-AWEZNQCLSA-N
XLogP0.83
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-acetyl-N-cycloheptyl-2-methylmorpholine-2-carboxamide
CID 124986827
(2R)-N-cyclopentyl-2-methyl-4-(6-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)morpholine-2-carboxamide
CID 92632661
(2S)-N-cyclopentyl-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-methylmorpholine-2-carboxamide
CID 92632600
(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)-(thiadiazol-4-yl)methanone
CID 134074050
N-cyclopentyl-8-(thiadiazole-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide
CID 131690264
N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687042
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
(3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl)-(thiadiazol-4-yl)methanone
CID 128539513
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
thiadiazol-4-yl-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 47432669
[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 92632709
[3-(1-aminoethyl)piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 65216121

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide (CID 92632665) is (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide is C[C@@]1(C(=O)NC2CCCC2)CN(C(=O)c2csnn2)CCO1.
What is the InChIKey of (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide?
The InChIKey is APACTKQSZXIXPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-14(13(20)15-10-4-2-3-5-10)9-18(6-7-21-14)12(19)11-8-22-17-16-11/h8,10H,2-7,9H2,1H3,(H,15,20)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide?
(2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-methyl-4-(thiadiazole-4-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 92632665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).