1-cyclopropyl-3-(thiolan-3-ylmethyl)urea

C9H16N2OS — CID 107295545

IUPAC1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
SMILESO=C(NCC1CCSC1)NC1CC1
InChIInChI=1S/C9H16N2OS/c12-9(11-8-1-2-8)10-5-7-3-4-13-6-7/h7-8H,1-6H2,(H2,10,11,12)
InChIKeyJVZDPSDGZZMSSE-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.20
Rot. Bonds3

About 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea

1-cyclopropyl-3-(thiolan-3-ylmethyl)urea (PubChem CID 107295545) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
PubChem CID107295545
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-cyclopropyl-3-(thiolan-3-ylmethyl)urea
SMILESO=C(NCC1CCSC1)NC1CC1
InChIInChI=1S/C9H16N2OS/c12-9(11-8-1-2-8)10-5-7-3-4-13-6-7/h7-8H,1-6H2,(H2,10,11,12)
InChIKeyJVZDPSDGZZMSSE-UHFFFAOYSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-3-(thiolan-3-ylmethyl)urea
CID 107295552
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297506
2-hydroxy-3-(thiolan-3-ylmethylcarbamoylamino)propanoic acid
CID 107297615
1-(cyclooctylmethyl)-3-cyclopropylurea
CID 87025156
3-chloro-N-(thiolan-3-ylmethylcarbamoyl)propanamide
CID 107297678
1-cyclopropyl-3-[[(1R,3R)-3-[(cyclopropylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 26974860
1-amino-N-(thiolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 107296095
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
4-methyl-4-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297600
N-cyclopentyl-2-(thiolan-3-ylmethylamino)acetamide
CID 107166294
5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297414

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea (CID 107295545) is 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea is O=C(NCC1CCSC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea?
The InChIKey is JVZDPSDGZZMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c12-9(11-8-1-2-8)10-5-7-3-4-13-6-7/h7-8H,1-6H2,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea?
1-cyclopropyl-3-(thiolan-3-ylmethyl)urea has a molecular weight of 200.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(thiolan-3-ylmethyl)urea is sourced from PubChem (CID 107295545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).