N-(3-methoxycyclobutyl)ethanethioamide

C7H13NOS — CID 142576151

IUPACN-(3-methoxycyclobutyl)ethanethioamide
SMILESCOC1CC(NC(C)=S)C1
InChIInChI=1S/C7H13NOS/c1-5(10)8-6-3-7(4-6)9-2/h6-7H,3-4H2,1-2H3,(H,8,10)
InChIKeyHHNBKGATLFNZNQ-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.10
Rot. Bonds2

About N-(3-methoxycyclobutyl)ethanethioamide

N-(3-methoxycyclobutyl)ethanethioamide (PubChem CID 142576151) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)ethanethioamide.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)ethanethioamide
PubChem CID142576151
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-(3-methoxycyclobutyl)ethanethioamide
SMILESCOC1CC(NC(C)=S)C1
InChIInChI=1S/C7H13NOS/c1-5(10)8-6-3-7(4-6)9-2/h6-7H,3-4H2,1-2H3,(H,8,10)
InChIKeyHHNBKGATLFNZNQ-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxycyclobutyl)-3-methylthiourea
CID 104587614
3-(3-methoxycyclobutyl)-1,1-dimethylurea
CID 104581744
N-(3-methoxycyclobutyl)-2,2-dimethylpropanamide
CID 104578372
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
(E)-N-(3-methoxycyclobutyl)but-2-enamide
CID 104578454
N-(3-methoxycyclobutyl)-4-oxopentanamide
CID 104600930
N,3-dimethoxycyclobutan-1-amine
CID 106821578
1,3,5-trimethoxycyclohexane
CID 547415
2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
CID 104578369
(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
CID 143150213
4-amino-2-[(3-methoxycyclobutyl)carbamoylamino]-4-oxobutanoic acid
CID 114120290
(1S,6R)-6-[(3-methoxycyclobutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114118848

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)ethanethioamide?
The IUPAC name of N-(3-methoxycyclobutyl)ethanethioamide (CID 142576151) is N-(3-methoxycyclobutyl)ethanethioamide.
What is the SMILES notation for N-(3-methoxycyclobutyl)ethanethioamide?
The canonical SMILES for N-(3-methoxycyclobutyl)ethanethioamide is COC1CC(NC(C)=S)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)ethanethioamide?
The InChIKey is HHNBKGATLFNZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5(10)8-6-3-7(4-6)9-2/h6-7H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-(3-methoxycyclobutyl)ethanethioamide?
N-(3-methoxycyclobutyl)ethanethioamide has a molecular weight of 159.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)ethanethioamide is sourced from PubChem (CID 142576151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).