6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide

C10H15N3O2S2 — CID 64587863

IUPAC6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
SMILESCS(=O)(=O)CCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C10H15N3O2S2/c1-17(14,15)7-3-6-12-9-5-2-4-8(13-9)10(11)16/h2,4-5H,3,6-7H2,1H3,(H2,11,16)(H,12,13)
InChIKeyCPMYJAXTEWZUAF-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.56
Rot. Bonds6

About 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide

6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide (PubChem CID 64587863) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
PubChem CID64587863
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
SMILESCS(=O)(=O)CCCNc1cccc(C(N)=S)n1
InChIInChI=1S/C10H15N3O2S2/c1-17(14,15)7-3-6-12-9-5-2-4-8(13-9)10(11)16/h2,4-5H,3,6-7H2,1H3,(H2,11,16)(H,12,13)
InChIKeyCPMYJAXTEWZUAF-UHFFFAOYSA-N
XLogP0.56
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(diethylamino)propylamino]pyridine-2-carbothioamide
CID 64588815
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
6-(4-propan-2-yloxybutylamino)pyridine-2-carbothioamide
CID 114136897
2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl carbamate
CID 83205321
6-methoxy-N-(3-methylsulfonylpropyl)pyridin-2-amine
CID 63591649
6-(2-propan-2-yloxyethylamino)pyridine-2-carbothioamide
CID 104761801
3-[2-[(6-carbamothioyl-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83121797
6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 62238654
6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbothioamide
CID 64594113
6-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 64588853
2-[(6-carbamothioyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 113406261
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide?
The IUPAC name of 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide (CID 64587863) is 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide.
What is the SMILES notation for 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide?
The canonical SMILES for 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide is CS(=O)(=O)CCCNc1cccc(C(N)=S)n1.
What is the InChIKey of 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide?
The InChIKey is CPMYJAXTEWZUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-17(14,15)7-3-6-12-9-5-2-4-8(13-9)10(11)16/h2,4-5H,3,6-7H2,1H3,(H2,11,16)(H,12,13).
What are the key properties of 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide?
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide has a molecular weight of 273.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide is sourced from PubChem (CID 64587863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).