4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide

C10H18N2OS — CID 104680132

IUPAC4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
SMILESCC1CCCN(CCCC(N)=S)C1=O
InChIInChI=1S/C10H18N2OS/c1-8-4-2-6-12(10(8)13)7-3-5-9(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyFBCAPZIOXWTLBO-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.31
Rot. Bonds4

About 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide

4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide (PubChem CID 104680132) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide.

Molecular Properties

Compound Name4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
PubChem CID104680132
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide
SMILESCC1CCCN(CCCC(N)=S)C1=O
InChIInChI=1S/C10H18N2OS/c1-8-4-2-6-12(10(8)13)7-3-5-9(11)14/h8H,2-7H2,1H3,(H2,11,14)
InChIKeyFBCAPZIOXWTLBO-UHFFFAOYSA-N
XLogP1.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.31
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

3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
4-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanethioamide
CID 103979570
1-[3-(cyclopropylamino)propyl]-3-methylpiperidin-2-one
CID 104679985
3-methyl-1-[5-(methylamino)hexyl]piperidin-2-one
CID 104680063
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
4-(5,5-dimethyl-2-oxoazepan-1-yl)butanethioamide
CID 65284670
4-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)butanethioamide
CID 64835154
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide?
The IUPAC name of 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide (CID 104680132) is 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide.
What is the SMILES notation for 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide?
The canonical SMILES for 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide is CC1CCCN(CCCC(N)=S)C1=O.
What is the InChIKey of 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide?
The InChIKey is FBCAPZIOXWTLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-4-2-6-12(10(8)13)7-3-5-9(11)14/h8H,2-7H2,1H3,(H2,11,14).
What are the key properties of 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide?
4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide has a molecular weight of 214.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-oxopiperidin-1-yl)butanethioamide is sourced from PubChem (CID 104680132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).