2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide

C12H21N3O2S — CID 79681734

IUPAC2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide
SMILESNC(=S)C1CN(CC(=O)NC2CCCC2)CCO1
InChIInChI=1S/C12H21N3O2S/c13-12(18)10-7-15(5-6-17-10)8-11(16)14-9-3-1-2-4-9/h9-10H,1-8H2,(H2,13,18)(H,14,16)
InChIKeyBVDQGYDFLJQNMN-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.03
Rot. Bonds4

About 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide

2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide (PubChem CID 79681734) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide
PubChem CID79681734
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide
SMILESNC(=S)C1CN(CC(=O)NC2CCCC2)CCO1
InChIInChI=1S/C12H21N3O2S/c13-12(18)10-7-15(5-6-17-10)8-11(16)14-9-3-1-2-4-9/h9-10H,1-8H2,(H2,13,18)(H,14,16)
InChIKeyBVDQGYDFLJQNMN-UHFFFAOYSA-N
XLogP0.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(cyclopentylamino)-2-oxoethyl]morpholine-2-carboxylate
CID 78926342
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
2-[2-(aminomethyl)morpholin-4-yl]-N-cycloheptylacetamide
CID 62548940
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-cyclooctyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 78787879
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
4-(2-morpholin-4-ylethyl)morpholine-2-carbothioamide
CID 79681028
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
N-[1-[2-(cyclopentylamino)-2-oxoethyl]piperidin-3-yl]cyclobutanecarboxamide
CID 171335040
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-(3-acetylpiperidin-1-yl)-N-cyclohexylacetamide
CID 55256614

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide (CID 79681734) is 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide is NC(=S)C1CN(CC(=O)NC2CCCC2)CCO1.
What is the InChIKey of 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide?
The InChIKey is BVDQGYDFLJQNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c13-12(18)10-7-15(5-6-17-10)8-11(16)14-9-3-1-2-4-9/h9-10H,1-8H2,(H2,13,18)(H,14,16).
What are the key properties of 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide?
2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide has a molecular weight of 271.39 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylmorpholin-4-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 79681734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).