4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid

C12H20N2O3S — CID 114111525

IUPAC4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESCCCC1CC1NC(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-2-3-8-6-9(8)13-12(17)14-4-5-18-7-10(14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyZDLXLXBHFXCJKI-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.39
Rot. Bonds4

About 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid

4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid (PubChem CID 114111525) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
PubChem CID114111525
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESCCCC1CC1NC(=O)N1CCSCC1C(=O)O
InChIInChI=1S/C12H20N2O3S/c1-2-3-8-6-9(8)13-12(17)14-4-5-18-7-10(14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyZDLXLXBHFXCJKI-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylcyclohexyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905186
4-[(2,2-dimethylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905297
4-(2-methylbutylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82906431
4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82906430
4-[(1,1-dioxothian-4-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904143
4-(2,2,2-trifluoroethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82904463
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416
4-[(1-methylcyclopentyl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82906238
4-(pent-3-ynylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 116644822
4-[(4-bromo-2-ethylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906247
4-(2-propan-2-yloxyethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 104763755
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82904716

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid (CID 114111525) is 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid is CCCC1CC1NC(=O)N1CCSCC1C(=O)O.
What is the InChIKey of 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is ZDLXLXBHFXCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-2-3-8-6-9(8)13-12(17)14-4-5-18-7-10(14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid?
4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 114111525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).