1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea

C14H24N2O2S — CID 97237076

IUPAC1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
SMILESCC[C@](C)(CCO)NC(=O)NC[C@H](C)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,6-7-17)16-13(18)15-9-11(2)12-5-8-19-10-12/h5,8,10-11,17H,4,6-7,9H2,1-3H3,(H2,15,16,18)/t11-,14+/m0/s1
InChIKeyRMYYBZQSAUGCFV-SMDDNHRTSA-N
MW284.42 g/mol
LogP2.70
Rot. Bonds7

About 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea

1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea (PubChem CID 97237076) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
PubChem CID97237076
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
SMILESCC[C@](C)(CCO)NC(=O)NC[C@H](C)c1ccsc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,6-7-17)16-13(18)15-9-11(2)12-5-8-19-10-12/h5,8,10-11,17H,4,6-7,9H2,1-3H3,(H2,15,16,18)/t11-,14+/m0/s1
InChIKeyRMYYBZQSAUGCFV-SMDDNHRTSA-N
XLogP2.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111509669
3-methyl-N-(1-thiophen-3-ylethyl)pentan-3-amine
CID 115920356
1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702778
2-methyl-2-(1-thiophen-3-ylethylcarbamoylamino)pentanoic acid
CID 62843561
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111795197
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbutanamide
CID 106435414
2-(2-methoxyanilino)-N-[(2S)-2-thiophen-3-ylpropyl]acetamide
CID 96520007
methyl 2-methyl-3-[[N'-methyl-N-(2-thiophen-3-ylpropyl)carbamimidoyl]amino]propanoate
CID 111703057
1-(2-ethylbutyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111441023
1,1,2-trimethyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703330
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylurea
CID 103686059

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
The IUPAC name of 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea (CID 97237076) is 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea.
What is the SMILES notation for 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
The canonical SMILES for 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea is CC[C@](C)(CCO)NC(=O)NC[C@H](C)c1ccsc1.
What is the InChIKey of 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
The InChIKey is RMYYBZQSAUGCFV-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-14(3,6-7-17)16-13(18)15-9-11(2)12-5-8-19-10-12/h5,8,10-11,17H,4,6-7,9H2,1-3H3,(H2,15,16,18)/t11-,14+/m0/s1.
What are the key properties of 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea?
1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea has a molecular weight of 284.42 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-hydroxy-3-methylpentan-3-yl]-3-[(2R)-2-thiophen-3-ylpropyl]urea is sourced from PubChem (CID 97237076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).