1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea

C12H24N2OS — CID 103740879

IUPAC1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC1(CNC(=S)NC(C)COC)CCC1
InChIInChI=1S/C12H24N2OS/c1-4-12(6-5-7-12)9-13-11(16)14-10(2)8-15-3/h10H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyZQJWRNFWXOWMRM-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.07
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea

1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 103740879) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
PubChem CID103740879
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCCC1(CNC(=S)NC(C)COC)CCC1
InChIInChI=1S/C12H24N2OS/c1-4-12(6-5-7-12)9-13-11(16)14-10(2)8-15-3/h10H,4-9H2,1-3H3,(H2,13,14,16)
InChIKeyZQJWRNFWXOWMRM-UHFFFAOYSA-N
XLogP2.07
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea (CID 103740879) is 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea is CCC1(CNC(=S)NC(C)COC)CCC1.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is ZQJWRNFWXOWMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-12(6-5-7-12)9-13-11(16)14-10(2)8-15-3/h10H,4-9H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea?
1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 244.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 103740879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).