1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea

C15H24N2O2S2 — CID 71868510

IUPAC1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCC1(SC)CCOCC1)c1cccs1
InChIInChI=1S/C15H24N2O2S2/c1-3-12(13-5-4-10-21-13)17-14(18)16-11-15(20-2)6-8-19-9-7-15/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,16,17,18)
InChIKeySRCJMIWVJAJPLO-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.41
Rot. Bonds6

About 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea

1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea (PubChem CID 71868510) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
PubChem CID71868510
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
SMILESCCC(NC(=O)NCC1(SC)CCOCC1)c1cccs1
InChIInChI=1S/C15H24N2O2S2/c1-3-12(13-5-4-10-21-13)17-14(18)16-11-15(20-2)6-8-19-9-7-15/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,16,17,18)
InChIKeySRCJMIWVJAJPLO-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71869947
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655467
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534
2-amino-N-[(4-methylsulfanyloxan-4-yl)methyl]-2-phenylacetamide;hydrochloride
CID 119336127
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
CID 95976656
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea (CID 71868510) is 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea is CCC(NC(=O)NCC1(SC)CCOCC1)c1cccs1.
What is the InChIKey of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
The InChIKey is SRCJMIWVJAJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-12(13-5-4-10-21-13)17-14(18)16-11-15(20-2)6-8-19-9-7-15/h4-5,10,12H,3,6-9,11H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea?
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea has a molecular weight of 328.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 71868510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).