1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride

C11H17ClN2OS — CID 175237620

IUPAC1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
SMILESCl.NC(=O)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C11H16N2OS.ClH/c12-11(14)13(9-4-1-2-5-9)8-10-6-3-7-15-10;/h3,6-7,9H,1-2,4-5,8H2,(H2,12,14);1H
InChIKeyNTTGZRFFKBLESM-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.99
Rot. Bonds3

About 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride

1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride (PubChem CID 175237620) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
PubChem CID175237620
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
SMILESCl.NC(=O)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C11H16N2OS.ClH/c12-11(14)13(9-4-1-2-5-9)8-10-6-3-7-15-10;/h3,6-7,9H,1-2,4-5,8H2,(H2,12,14);1H
InChIKeyNTTGZRFFKBLESM-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 150953612
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853
1-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54870594
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-cyclopentyl-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159758558
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
3-tert-butyl-1-cyclopropyl-1-(thiophen-2-ylmethyl)urea
CID 113224633
2-(1-aminocyclopentyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)acetamide
CID 64686059
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride?
The IUPAC name of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride (CID 175237620) is 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride?
The canonical SMILES for 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride is Cl.NC(=O)N(Cc1cccs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride?
The InChIKey is NTTGZRFFKBLESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c12-11(14)13(9-4-1-2-5-9)8-10-6-3-7-15-10;/h3,6-7,9H,1-2,4-5,8H2,(H2,12,14);1H.
What are the key properties of 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride?
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride is sourced from PubChem (CID 175237620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).