1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea

C11H21N3OS — CID 117235168

IUPAC1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea
SMILESO=C(NCC1CNC1)NCC1CCCSC1
InChIInChI=1S/C11H21N3OS/c15-11(14-7-10-4-12-5-10)13-6-9-2-1-3-16-8-9/h9-10,12H,1-8H2,(H2,13,14,15)
InChIKeySPBDEIDWLKYFLZ-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.65
Rot. Bonds4

About 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea

1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea (PubChem CID 117235168) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea
PubChem CID117235168
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea
SMILESO=C(NCC1CNC1)NCC1CCCSC1
InChIInChI=1S/C11H21N3OS/c15-11(14-7-10-4-12-5-10)13-6-9-2-1-3-16-8-9/h9-10,12H,1-8H2,(H2,13,14,15)
InChIKeySPBDEIDWLKYFLZ-UHFFFAOYSA-N
XLogP0.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(thian-3-ylmethylcarbamoylamino)propanoic acid
CID 117235193
1-(azetidin-3-ylmethyl)-3-(thian-2-ylmethyl)urea
CID 117235091
2-fluoro-2-methyl-N-(thian-3-ylmethyl)propanamide
CID 130914244
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
CID 107295545
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506
2-hydroxy-3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297615
1-[(thiolan-3-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 107297586
5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297414
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065
benzyl N-(thian-3-ylmethyl)carbamate
CID 130813410
3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
CID 107297678

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea?
The IUPAC name of 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea (CID 117235168) is 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea is O=C(NCC1CNC1)NCC1CCCSC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea?
The InChIKey is SPBDEIDWLKYFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c15-11(14-7-10-4-12-5-10)13-6-9-2-1-3-16-8-9/h9-10,12H,1-8H2,(H2,13,14,15).
What are the key properties of 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea?
1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea has a molecular weight of 243.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-3-(thian-3-ylmethyl)urea is sourced from PubChem (CID 117235168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).