1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea

C12H18N2OS — CID 94152755

IUPAC1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
SMILESCNC(=O)N[C@@H](c1cccs1)C1CCCC1
InChIInChI=1S/C12H18N2OS/c1-13-12(15)14-11(9-5-2-3-6-9)10-7-4-8-16-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,13,14,15)/t11-/m1/s1
InChIKeyVTHUDOSTVQTQSF-LLVKDONJSA-N
MW238.36 g/mol
LogP2.91
Rot. Bonds3

About 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea

1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea (PubChem CID 94152755) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
PubChem CID94152755
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
SMILESCNC(=O)N[C@@H](c1cccs1)C1CCCC1
InChIInChI=1S/C12H18N2OS/c1-13-12(15)14-11(9-5-2-3-6-9)10-7-4-8-16-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,13,14,15)/t11-/m1/s1
InChIKeyVTHUDOSTVQTQSF-LLVKDONJSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-pyridin-4-ylurea
CID 94120635
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
1-[cyclopentyl(thiophen-2-yl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 71941757
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
2-(tert-butylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 78987130
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39612740
1-[cyclopentyl(thiophen-2-yl)methyl]-3-[4-(2-methoxyethoxy)phenyl]urea
CID 55697423
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 42960691
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94120629

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea (CID 94152755) is 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea is CNC(=O)N[C@@H](c1cccs1)C1CCCC1.
What is the InChIKey of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea?
The InChIKey is VTHUDOSTVQTQSF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-13-12(15)14-11(9-5-2-3-6-9)10-7-4-8-16-10/h4,7-9,11H,2-3,5-6H2,1H3,(H2,13,14,15)/t11-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea?
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea has a molecular weight of 238.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea is sourced from PubChem (CID 94152755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).