4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide

C11H21N3O3S2 — CID 107161272

IUPAC4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H21N3O3S2/c1-11(10(12)18)2-4-13(5-3-11)19(15,16)14-6-8-17-9-7-14/h2-9H2,1H3,(H2,12,18)
InChIKeyKMHCRJSFYKLFLZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP-0.05
Rot. Bonds3

About 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide

4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide (PubChem CID 107161272) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide
PubChem CID107161272
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC Name4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H21N3O3S2/c1-11(10(12)18)2-4-13(5-3-11)19(15,16)14-6-8-17-9-7-14/h2-9H2,1H3,(H2,12,18)
InChIKeyKMHCRJSFYKLFLZ-UHFFFAOYSA-N
XLogP-0.05
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-4-carbothioamide
CID 107161320
methyl 2-(4-carbamothioyl-4-methylpiperidin-1-yl)sulfonylpropanoate
CID 107161355
4-morpholin-4-ylsulfonylmorpholine-2-carbothioamide
CID 79675027
4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidine-4-carbothioamide
CID 107161341
1-(4-chlorophenyl)sulfonyl-4-methylpiperidine-4-carbothioamide
CID 107161275
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carbothioamide
CID 107161256
ethyl N-(4-carbamothioyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107161358
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide?
The IUPAC name of 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide (CID 107161272) is 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide.
What is the SMILES notation for 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide?
The canonical SMILES for 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide?
The InChIKey is KMHCRJSFYKLFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-11(10(12)18)2-4-13(5-3-11)19(15,16)14-6-8-17-9-7-14/h2-9H2,1H3,(H2,12,18).
What are the key properties of 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide?
4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide has a molecular weight of 307.44 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-morpholin-4-ylsulfonylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).