N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide

C10H16N2O3S — CID 83105257

IUPACN-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)CS
InChIInChI=1S/C10H16N2O3S/c13-9(6-16)12-3-4-15-5-8(12)10(14)11-7-1-2-7/h7-8,16H,1-6H2,(H,11,14)
InChIKeyRSQZQBXPBKYUKR-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.58
Rot. Bonds3

About N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide

N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide (PubChem CID 83105257) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
PubChem CID83105257
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)CS
InChIInChI=1S/C10H16N2O3S/c13-9(6-16)12-3-4-15-5-8(12)10(14)11-7-1-2-7/h7-8,16H,1-6H2,(H,11,14)
InChIKeyRSQZQBXPBKYUKR-UHFFFAOYSA-N
XLogP-0.58
TPSA58.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorobutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106386
4-[2-[(2-aminoacetyl)amino]acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83097064
4-[2-(tert-butylamino)acetyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098876
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
5-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methyl-5-oxopentanoic acid
CID 83098608
N-cyclopropyl-4-(2-piperidin-2-ylacetyl)morpholine-3-carboxamide
CID 83102457
4-(5-aminohexanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098457
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
4-(1-aminocyclopentanecarbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098030
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide (CID 83105257) is N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1C(=O)CS.
What is the InChIKey of N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide?
The InChIKey is RSQZQBXPBKYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-9(6-16)12-3-4-15-5-8(12)10(14)11-7-1-2-7/h7-8,16H,1-6H2,(H,11,14).
What are the key properties of N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide?
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide is sourced from PubChem (CID 83105257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).