N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide

C15H23N3O2S — CID 40847759

IUPACN'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
SMILESCN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-18(2)13(11-7-8-21-10-11)9-16-14(19)15(20)17-12-5-3-4-6-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyDBIGTFZRSFBGMC-ZDUSSCGKSA-N
MW309.43 g/mol
LogP1.53
Rot. Bonds5

About N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide

N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide (PubChem CID 40847759) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
PubChem CID40847759
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide
SMILESCN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccsc1
InChIInChI=1S/C15H23N3O2S/c1-18(2)13(11-7-8-21-10-11)9-16-14(19)15(20)17-12-5-3-4-6-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,16,19)(H,17,20)/t13-/m0/s1
InChIKeyDBIGTFZRSFBGMC-ZDUSSCGKSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide (CID 40847759) is N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide is CN(C)[C@@H](CNC(=O)C(=O)NC1CCCC1)c1ccsc1.
What is the InChIKey of N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
The InChIKey is DBIGTFZRSFBGMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18(2)13(11-7-8-21-10-11)9-16-14(19)15(20)17-12-5-3-4-6-12/h7-8,10,12-13H,3-6,9H2,1-2H3,(H,16,19)(H,17,20)/t13-/m0/s1.
What are the key properties of N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide?
N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide has a molecular weight of 309.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]oxamide is sourced from PubChem (CID 40847759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).