1-methylsulfanylcyclobutane-1-carboxamide

C6H11NOS — CID 131173065

IUPAC1-methylsulfanylcyclobutane-1-carboxamide
SMILESCSC1(C(N)=O)CCC1
InChIInChI=1S/C6H11NOS/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H2,7,8)
InChIKeySPLAQSAYUSLGNX-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.76
Rot. Bonds2

About 1-methylsulfanylcyclobutane-1-carboxamide

1-methylsulfanylcyclobutane-1-carboxamide (PubChem CID 131173065) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-methylsulfanylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methylsulfanylcyclobutane-1-carboxamide
PubChem CID131173065
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-methylsulfanylcyclobutane-1-carboxamide
SMILESCSC1(C(N)=O)CCC1
InChIInChI=1S/C6H11NOS/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H2,7,8)
InChIKeySPLAQSAYUSLGNX-UHFFFAOYSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanylcyclopropane-1-carboxylic acid
CID 22102233
1-aminocyclopentane-1-carboxamide;ethane
CID 176999310
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CID 175158753
N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide
CID 79155123
1-acetamidocyclobutane-1-carboxamide
CID 58720910
2-(1-methylcyclobutyl)-2-oxoacetamide
CID 123504504
1-nitrosocyclobutane-1-carboxamide
CID 87070126
1-benzhydrylsulfanylcyclohexane-1-carboxamide
CID 11960411
(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
CID 118555978
1-amino-4,4-dimethylcycloheptane-1-carboxamide
CID 65088095
1-hydroxycyclopentane-1-carboxamide
CID 12857769
1-aminocyclopentane-1-carboxamide
CID 139066563

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylcyclobutane-1-carboxamide?
The IUPAC name of 1-methylsulfanylcyclobutane-1-carboxamide (CID 131173065) is 1-methylsulfanylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-methylsulfanylcyclobutane-1-carboxamide?
The canonical SMILES for 1-methylsulfanylcyclobutane-1-carboxamide is CSC1(C(N)=O)CCC1.
What is the InChIKey of 1-methylsulfanylcyclobutane-1-carboxamide?
The InChIKey is SPLAQSAYUSLGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H2,7,8).
What are the key properties of 1-methylsulfanylcyclobutane-1-carboxamide?
1-methylsulfanylcyclobutane-1-carboxamide has a molecular weight of 145.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylcyclobutane-1-carboxamide is sourced from PubChem (CID 131173065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).