1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea

C14H20N2O2S — CID 91812769

IUPAC1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
SMILESO=C(NC1CCOCC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H20N2O2S/c17-14(15-12-3-6-18-7-4-12)16(13-1-2-13)9-11-5-8-19-10-11/h5,8,10,12-13H,1-4,6-7,9H2,(H,15,17)
InChIKeyNKJAYMRSMXEHFN-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.60
Rot. Bonds4

About 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea

1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea (PubChem CID 91812769) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
PubChem CID91812769
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea
SMILESO=C(NC1CCOCC1)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C14H20N2O2S/c17-14(15-12-3-6-18-7-4-12)16(13-1-2-13)9-11-5-8-19-10-11/h5,8,10,12-13H,1-4,6-7,9H2,(H,15,17)
InChIKeyNKJAYMRSMXEHFN-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
(2S)-2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 78971232
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
6-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]hexanoic acid
CID 61435678
2-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114402
2-[1-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842220
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
3-[[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61435483
2-amino-N-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]acetamide
CID 61168568

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea (CID 91812769) is 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea is O=C(NC1CCOCC1)N(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
The InChIKey is NKJAYMRSMXEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(15-12-3-6-18-7-4-12)16(13-1-2-13)9-11-5-8-19-10-11/h5,8,10,12-13H,1-4,6-7,9H2,(H,15,17).
What are the key properties of 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea?
1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea has a molecular weight of 280.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxan-4-yl)-1-(thiophen-3-ylmethyl)urea is sourced from PubChem (CID 91812769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).