1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea

C15H18ClN3OS — CID 121499849

IUPAC1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea
SMILESN[C@@H]1CC[C@H](NC(=O)NCc2sc3ccccc3c2Cl)C1
InChIInChI=1S/C15H18ClN3OS/c16-14-11-3-1-2-4-12(11)21-13(14)8-18-15(20)19-10-6-5-9(17)7-10/h1-4,9-10H,5-8,17H2,(H2,18,19,20)/t9-,10+/m1/s1
InChIKeyQADWORQAXBQMAA-ZJUUUORDSA-N
MW323.85 g/mol
LogP3.23
Rot. Bonds3

About 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea

1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea (PubChem CID 121499849) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea
PubChem CID121499849
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea
SMILESN[C@@H]1CC[C@H](NC(=O)NCc2sc3ccccc3c2Cl)C1
InChIInChI=1S/C15H18ClN3OS/c16-14-11-3-1-2-4-12(11)21-13(14)8-18-15(20)19-10-6-5-9(17)7-10/h1-4,9-10H,5-8,17H2,(H2,18,19,20)/t9-,10+/m1/s1
InChIKeyQADWORQAXBQMAA-ZJUUUORDSA-N
XLogP3.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea with MolForge

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Related Compounds

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63454421
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411948
N-(3-aminocyclopentyl)-1-benzothiophene-3-carboxamide
CID 115272862
2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 34713853
1-(3-chloro-1-benzothiophen-2-yl)-3-[2-(cyclohexylcarbamoylamino)ethyl]urea
CID 71905991
(3S)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 42516476
cis-(1R,3S)-3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678938
1-[[(3-chloro-1-benzothiophen-2-yl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115461
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563790
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 125174979
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70709391
N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide
CID 33109099

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea?
The IUPAC name of 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea (CID 121499849) is 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea is N[C@@H]1CC[C@H](NC(=O)NCc2sc3ccccc3c2Cl)C1.
What is the InChIKey of 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea?
The InChIKey is QADWORQAXBQMAA-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c16-14-11-3-1-2-4-12(11)21-13(14)8-18-15(20)19-10-6-5-9(17)7-10/h1-4,9-10H,5-8,17H2,(H2,18,19,20)/t9-,10+/m1/s1.
What are the key properties of 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea?
1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea has a molecular weight of 323.85 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-aminocyclopentyl]-3-[(3-chloro-1-benzothiophen-2-yl)methyl]urea is sourced from PubChem (CID 121499849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).