1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea

C15H25N3OS — CID 30834300

IUPAC1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)[C@@H](CNC(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-18(2)13(14-9-6-10-20-14)11-16-15(19)17-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H2,16,17,19)/t13-/m0/s1
InChIKeyGODNZZBPBRJKDL-ZDUSSCGKSA-N
MW295.45 g/mol
LogP2.98
Rot. Bonds5

About 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea

1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea (PubChem CID 30834300) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
PubChem CID30834300
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
SMILESCN(C)[C@@H](CNC(=O)NC1CCCCC1)c1cccs1
InChIInChI=1S/C15H25N3OS/c1-18(2)13(14-9-6-10-20-14)11-16-15(19)17-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H2,16,17,19)/t13-/m0/s1
InChIKeyGODNZZBPBRJKDL-ZDUSSCGKSA-N
XLogP2.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]oxamide
CID 30834974
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1,1-dioxothiolan-3-yl]urea
CID 94519038
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 55472238
2-cyclohexyl-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 46522897
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
CID 97060514
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 146133848
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 51894409
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830031
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95134541

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea (CID 30834300) is 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea is CN(C)[C@@H](CNC(=O)NC1CCCCC1)c1cccs1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
The InChIKey is GODNZZBPBRJKDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-18(2)13(14-9-6-10-20-14)11-16-15(19)17-12-7-4-3-5-8-12/h6,9-10,12-13H,3-5,7-8,11H2,1-2H3,(H2,16,17,19)/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea?
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea has a molecular weight of 295.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea is sourced from PubChem (CID 30834300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).