1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea

C17H24FN3OS — CID 146105641

IUPAC1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea
SMILESO=C(NCC1CSCCN1Cc1ccccc1)NC1CC(F)C1
InChIInChI=1S/C17H24FN3OS/c18-14-8-15(9-14)20-17(22)19-10-16-12-23-7-6-21(16)11-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,19,20,22)
InChIKeyPCNIAZJTUYSVPY-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.40
Rot. Bonds5

About 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea

1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea (PubChem CID 146105641) has the molecular formula C17H24FN3OS and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea.

Molecular Properties

Compound Name1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea
PubChem CID146105641
Molecular FormulaC17H24FN3OS
Molecular Weight337.46 g/mol
Exact Mass337.16
IUPAC Name1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea
SMILESO=C(NCC1CSCCN1Cc1ccccc1)NC1CC(F)C1
InChIInChI=1S/C17H24FN3OS/c18-14-8-15(9-14)20-17(22)19-10-16-12-23-7-6-21(16)11-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,19,20,22)
InChIKeyPCNIAZJTUYSVPY-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-benzylthiomorpholin-3-yl)methyl]but-2-ynamide
CID 146083677
2-(4-benzylthiomorpholin-3-yl)acetic acid
CID 66442992
5-acetamido-N-[[(3S)-4-benzylthiomorpholin-3-yl]methyl]-2-fluorobenzamide
CID 100632762
N-[[(3R)-4-benzylthiomorpholin-3-yl]methyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 100633586
4-amino-N-[(4-benzylthiomorpholin-3-yl)methyl]-5-chloro-2-methoxybenzamide
CID 10024275
2-[4-[(4-hydroxyphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 66420012
N'-[(4-benzylthiomorpholin-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120513742
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
N-[(4-benzylthiomorpholin-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120513493
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
3-[(1-benzyl-5-oxopyrrolidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 139022011
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907

Frequently Asked Questions

What is the IUPAC name of 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea?
The IUPAC name of 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea (CID 146105641) is 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea.
What is the SMILES notation for 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea?
The canonical SMILES for 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea is O=C(NCC1CSCCN1Cc1ccccc1)NC1CC(F)C1.
What is the InChIKey of 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea?
The InChIKey is PCNIAZJTUYSVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3OS/c18-14-8-15(9-14)20-17(22)19-10-16-12-23-7-6-21(16)11-13-4-2-1-3-5-13/h1-5,14-16H,6-12H2,(H2,19,20,22).
What are the key properties of 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea?
1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea has a molecular weight of 337.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-benzylthiomorpholin-3-yl)methyl]-3-(3-fluorocyclobutyl)urea is sourced from PubChem (CID 146105641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).