2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide

C10H21N3O2S2 — CID 61119257

IUPAC2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCC1CCCN(S(=O)(=O)NC(C)(C)C(N)=S)C1
InChIInChI=1S/C10H21N3O2S2/c1-8-5-4-6-13(7-8)17(14,15)12-10(2,3)9(11)16/h8,12H,4-7H2,1-3H3,(H2,11,16)
InChIKeyALAYCAZFAVDHNZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide

2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide (PubChem CID 61119257) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
PubChem CID61119257
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
SMILESCC1CCCN(S(=O)(=O)NC(C)(C)C(N)=S)C1
InChIInChI=1S/C10H21N3O2S2/c1-8-5-4-6-13(7-8)17(14,15)12-10(2,3)9(11)16/h8,12H,4-7H2,1-3H3,(H2,11,16)
InChIKeyALAYCAZFAVDHNZ-UHFFFAOYSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 130342800
3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
3-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210887
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
3-[Ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987376
3-[Ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987377
3-[Ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54988018
2-Methyl-3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 54991773
2-Methyl-3-[methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991774
2-Methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
2-Methyl-3-[methyl-(2-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The IUPAC name of 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide (CID 61119257) is 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide.
What is the SMILES notation for 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The canonical SMILES for 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide is CC1CCCN(S(=O)(=O)NC(C)(C)C(N)=S)C1.
What is the InChIKey of 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
The InChIKey is ALAYCAZFAVDHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-8-5-4-6-13(7-8)17(14,15)12-10(2,3)9(11)16/h8,12H,4-7H2,1-3H3,(H2,11,16).
What are the key properties of 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide?
2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide has a molecular weight of 279.43 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide is sourced from PubChem (CID 61119257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).