1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea

C11H22N2OS — CID 124886093

IUPAC1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
SMILESC=CC[C@@H](CC)NC(=O)N[C@H](C)CSC
InChIInChI=1S/C11H22N2OS/c1-5-7-10(6-2)13-11(14)12-9(3)8-15-4/h5,9-10H,1,6-8H2,2-4H3,(H2,12,13,14)/t9-,10-/m1/s1
InChIKeyNEWUGBPKFSHGEK-NXEZZACHSA-N
MW230.38 g/mol
LogP2.39
Rot. Bonds7

About 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea

1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea (PubChem CID 124886093) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
PubChem CID124886093
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea
SMILESC=CC[C@@H](CC)NC(=O)N[C@H](C)CSC
InChIInChI=1S/C11H22N2OS/c1-5-7-10(6-2)13-11(14)12-9(3)8-15-4/h5,9-10H,1,6-8H2,2-4H3,(H2,12,13,14)/t9-,10-/m1/s1
InChIKeyNEWUGBPKFSHGEK-NXEZZACHSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111435312
1-[(3S)-hex-5-en-3-yl]-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 125140786
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
1-tert-butyl-3-(1-methylsulfanylpropan-2-yl)urea
CID 115693458
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(3S)-hex-5-en-3-yl]urea
CID 124887450
2-[[(3R)-hex-5-en-3-yl]carbamoylamino]-N-phenylacetamide
CID 129432653
1-(1-ethylsulfanylpropan-2-yl)-3-methylurea
CID 115661079
(2S,3R)-3-hydroxy-2-(pent-4-en-2-ylcarbamoylamino)butanoic acid
CID 104966582
1-tert-butyl-3-(1-methylsulfanylbutan-2-yl)urea
CID 115899161
4-[[[(3S)-hex-5-en-3-yl]carbamoylamino]methyl]-N-methylbenzamide
CID 100681192
pent-4-en-2-ylcarbamic acid
CID 146626901
1-[(3S)-hex-5-en-3-yl]-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 129432308

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea?
The IUPAC name of 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea (CID 124886093) is 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea.
What is the SMILES notation for 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea?
The canonical SMILES for 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea is C=CC[C@@H](CC)NC(=O)N[C@H](C)CSC.
What is the InChIKey of 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea?
The InChIKey is NEWUGBPKFSHGEK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-5-7-10(6-2)13-11(14)12-9(3)8-15-4/h5,9-10H,1,6-8H2,2-4H3,(H2,12,13,14)/t9-,10-/m1/s1.
What are the key properties of 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea?
1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea has a molecular weight of 230.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-hex-5-en-3-yl]-3-[(2R)-1-methylsulfanylpropan-2-yl]urea is sourced from PubChem (CID 124886093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).