1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea

C9H18N2OS — CID 107295561

IUPAC1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
SMILESCCN(C)C(=O)NCC1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-11(2)9(12)10-6-8-4-5-13-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyMRODNANWIVACKS-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.40
Rot. Bonds3

About 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea

1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea (PubChem CID 107295561) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
PubChem CID107295561
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea
SMILESCCN(C)C(=O)NCC1CCSC1
InChIInChI=1S/C9H18N2OS/c1-3-11(2)9(12)10-6-8-4-5-13-7-8/h8H,3-7H2,1-2H3,(H,10,12)
InChIKeyMRODNANWIVACKS-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297462
N-ethyl-N-methyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107132515
2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297567
3-[ethyl(thiolan-3-ylmethylcarbamoyl)amino]-2-methylpropanoic acid
CID 107297478
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
2-[tert-butyl(thiolan-3-ylmethylcarbamoyl)amino]acetic acid
CID 107297379
2-bromo-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107295512
(2S)-2-amino-N-(thiolan-3-ylmethyl)hexanamide
CID 107296121
2-[N-(thiolan-3-ylmethylcarbamoyl)anilino]acetic acid
CID 107297593
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
2-(aminomethyl)-N-(thiolan-3-ylmethyl)pentanamide
CID 107296139
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea (CID 107295561) is 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea is CCN(C)C(=O)NCC1CCSC1.
What is the InChIKey of 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea?
The InChIKey is MRODNANWIVACKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-11(2)9(12)10-6-8-4-5-13-7-8/h8H,3-7H2,1-2H3,(H,10,12).
What are the key properties of 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea?
1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea has a molecular weight of 202.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(thiolan-3-ylmethyl)urea is sourced from PubChem (CID 107295561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).