3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea

C13H20N2OS — CID 113224633

IUPAC3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
SMILESCC(C)(C)NC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)14-12(16)15(10-6-7-10)9-11-5-4-8-17-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeySVOJTRIKDAHXTN-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.22
Rot. Bonds3

About 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea

3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 113224633) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
PubChem CID113224633
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
SMILESCC(C)(C)NC(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H20N2OS/c1-13(2,3)14-12(16)15(10-6-7-10)9-11-5-4-8-17-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16)
InChIKeySVOJTRIKDAHXTN-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
2-[[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223201
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
1-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61449689
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109863
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-cyclopropyl-2,2-dimethyl-N-(thiophen-2-ylmethyl)propanimidamide
CID 63177482
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992646
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea (CID 113224633) is 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea is CC(C)(C)NC(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is SVOJTRIKDAHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-13(2,3)14-12(16)15(10-6-7-10)9-11-5-4-8-17-11/h4-5,8,10H,6-7,9H2,1-3H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea?
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 252.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 113224633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).