1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea

C11H18N2S2 — CID 115570920

IUPAC1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)CNC(=S)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2S2/c1-9(2)7-12-11(14)13(3)8-10-5-4-6-15-10/h4-6,9H,7-8H2,1-3H3,(H,12,14)
InChIKeyMZUQLROBIBWDCD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.71
Rot. Bonds4

About 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea

1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 115570920) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
PubChem CID115570920
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCC(C)CNC(=S)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2S2/c1-9(2)7-12-11(14)13(3)8-10-5-4-6-15-10/h4-6,9H,7-8H2,1-3H3,(H,12,14)
InChIKeyMZUQLROBIBWDCD-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
CID 115570918
3-(1-methoxypropan-2-yl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570922
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
1-methyl-1-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115570986
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 8681181
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
3-ethyl-1-methyl-1-(1-thiophen-2-ylpropan-2-yl)thiourea
CID 115673594
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
1-ethyl-3-(2-methylpropyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111178780
1-methyl-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8681187
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 75415342

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea (CID 115570920) is 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea is CC(C)CNC(=S)N(C)Cc1cccs1.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is MZUQLROBIBWDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-9(2)7-12-11(14)13(3)8-10-5-4-6-15-10/h4-6,9H,7-8H2,1-3H3,(H,12,14).
What are the key properties of 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea?
1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 242.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 115570920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).