1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea

C15H22N2OS — CID 30522444

IUPAC1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2cccs2)CC1)NC1CCCCC1
InChIInChI=1S/C15H22N2OS/c18-14(17-12-5-2-1-3-6-12)16-11-15(8-9-15)13-7-4-10-19-13/h4,7,10,12H,1-3,5-6,8-9,11H2,(H2,16,17,18)
InChIKeyBSLKMWZAHWPKHC-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.41
Rot. Bonds4

About 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea

1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea (PubChem CID 30522444) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
PubChem CID30522444
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
SMILESO=C(NCC1(c2cccs2)CC1)NC1CCCCC1
InChIInChI=1S/C15H22N2OS/c18-14(17-12-5-2-1-3-6-12)16-11-15(8-9-15)13-7-4-10-19-13/h4,7,10,12H,1-3,5-6,8-9,11H2,(H2,16,17,18)
InChIKeyBSLKMWZAHWPKHC-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111631122
1-(oxolan-2-ylmethyl)-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 91812758
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
methyl N-[(1-thiophen-2-ylcyclopropyl)methyl]carbamate
CID 30522713
(2S)-5-oxo-N-[(1-thiophen-2-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 94221439
N-[(1-thiophen-2-ylcyclohexyl)methyl]cyclopropanamine
CID 62595162
(2R)-2-amino-N-[(1-thiophen-2-ylcyclohexyl)methyl]propanamide
CID 119332541
N-[(1-thiophen-2-ylcyclobutyl)methyl]cyclopropanamine
CID 62595338
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119799189

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea (CID 30522444) is 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea is O=C(NCC1(c2cccs2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
The InChIKey is BSLKMWZAHWPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c18-14(17-12-5-2-1-3-6-12)16-11-15(8-9-15)13-7-4-10-19-13/h4,7,10,12H,1-3,5-6,8-9,11H2,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea?
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea has a molecular weight of 278.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea is sourced from PubChem (CID 30522444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).