4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide

C10H19N3O2S — CID 83096218

IUPAC4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESCSC1CNCC1N1CCOCC1C(N)=O
InChIInChI=1S/C10H19N3O2S/c1-16-9-5-12-4-7(9)13-2-3-15-6-8(13)10(11)14/h7-9,12H,2-6H2,1H3,(H2,11,14)
InChIKeyCOQXAUFYORDEGA-UHFFFAOYSA-N
MW245.35 g/mol
LogP-1.12
Rot. Bonds3

About 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide

4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide (PubChem CID 83096218) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
PubChem CID83096218
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
SMILESCSC1CNCC1N1CCOCC1C(N)=O
InChIInChI=1S/C10H19N3O2S/c1-16-9-5-12-4-7(9)13-2-3-15-6-8(13)10(11)14/h7-9,12H,2-6H2,1H3,(H2,11,14)
InChIKeyCOQXAUFYORDEGA-UHFFFAOYSA-N
XLogP-1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide
CID 83099882
4-cyclopropylmorpholine-3-carboxamide
CID 67153953
4-[2-(aminomethyl)cyclopentyl]morpholine-3-carboxamide
CID 83101214
4-(4-hydroxypyrrolidin-3-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83100709
4-(2-cyanocycloheptyl)morpholine-3-carboxamide
CID 83102320
4-(3-aminocyclopentyl)morpholine-3-carboxamide
CID 83095575
4-(3-oxocyclopentyl)morpholine-3-carboxamide
CID 83096407
4-hexylmorpholine-3-carboxamide
CID 174697838
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
N-ethyl-4-piperidin-4-ylmorpholine-3-carboxamide
CID 83100378
4-(5-oxopyrrolidine-3-carbonyl)morpholine-3-carboxamide
CID 83093489
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide (CID 83096218) is 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide is CSC1CNCC1N1CCOCC1C(N)=O.
What is the InChIKey of 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
The InChIKey is COQXAUFYORDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-16-9-5-12-4-7(9)13-2-3-15-6-8(13)10(11)14/h7-9,12H,2-6H2,1H3,(H2,11,14).
What are the key properties of 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide?
4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide has a molecular weight of 245.35 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylpyrrolidin-3-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83096218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).