1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea

C11H18N2OS — CID 115591362

IUPAC1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)N(Cc1cccs1)C(=O)N(C)C
InChIInChI=1S/C11H18N2OS/c1-9(2)13(11(14)12(3)4)8-10-6-5-7-15-10/h5-7,9H,8H2,1-4H3
InChIKeyFGDLFXUHKTUEKR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.64
Rot. Bonds3

About 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea

1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea (PubChem CID 115591362) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
PubChem CID115591362
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
SMILESCC(C)N(Cc1cccs1)C(=O)N(C)C
InChIInChI=1S/C11H18N2OS/c1-9(2)13(11(14)12(3)4)8-10-6-5-7-15-10/h5-7,9H,8H2,1-4H3
InChIKeyFGDLFXUHKTUEKR-UHFFFAOYSA-N
XLogP2.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61455513
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 65228797
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 54946897
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea (CID 115591362) is 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea is CC(C)N(Cc1cccs1)C(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea?
The InChIKey is FGDLFXUHKTUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(2)13(11(14)12(3)4)8-10-6-5-7-15-10/h5-7,9H,8H2,1-4H3.
What are the key properties of 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea?
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea has a molecular weight of 226.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 115591362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).