1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride

C15H24ClN3O2S — CID 154908659

IUPAC1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
SMILESCl.O=C(NCCSCc1ccccc1)NCC1CNCCO1
InChIInChI=1S/C15H23N3O2S.ClH/c19-15(18-11-14-10-16-6-8-20-14)17-7-9-21-12-13-4-2-1-3-5-13;/h1-5,14,16H,6-12H2,(H2,17,18,19);1H
InChIKeyXPNFJHLSBJPQLV-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.63
Rot. Bonds7

About 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride

1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride (PubChem CID 154908659) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
PubChem CID154908659
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride
SMILESCl.O=C(NCCSCc1ccccc1)NCC1CNCCO1
InChIInChI=1S/C15H23N3O2S.ClH/c19-15(18-11-14-10-16-6-8-20-14)17-7-9-21-12-13-4-2-1-3-5-13;/h1-5,14,16H,6-12H2,(H2,17,18,19);1H
InChIKeyXPNFJHLSBJPQLV-UHFFFAOYSA-N
XLogP1.63
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
1-(2-benzylsulfanylethyl)-3-propylurea
CID 94870511
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
2-(2-methylphenyl)-N-(morpholin-2-ylmethyl)acetamide
CID 43602980
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
2,6-dichloro-N-(morpholin-2-ylmethyl)benzamide
CID 113287074
1-[2-[(2-chloro-4-pyridinyl)methylsulfanyl]ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97262264
N-[[(2R)-4-acetylmorpholin-2-yl]methyl]-3-benzylsulfanylpropanamide
CID 125174342
tert-butyl N-[(4-benzylmorpholin-2-yl)methyl]carbamate;tert-butyl N-(morpholin-2-ylmethyl)carbamate
CID 159216706
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
1-(2-methoxy-5-phenylphenyl)-3-(morpholin-2-ylmethyl)urea
CID 74245608
(3R)-N-(2-benzylsulfanylethyl)oxolane-3-carboxamide
CID 95272165

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
The IUPAC name of 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride (CID 154908659) is 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride.
What is the SMILES notation for 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
The canonical SMILES for 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride is Cl.O=C(NCCSCc1ccccc1)NCC1CNCCO1.
What is the InChIKey of 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
The InChIKey is XPNFJHLSBJPQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c19-15(18-11-14-10-16-6-8-20-14)17-7-9-21-12-13-4-2-1-3-5-13;/h1-5,14,16H,6-12H2,(H2,17,18,19);1H.
What are the key properties of 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride?
1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylsulfanylethyl)-3-(morpholin-2-ylmethyl)urea;hydrochloride is sourced from PubChem (CID 154908659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).