2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide

C10H15N3S — CID 15581954

IUPAC2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide
SMILESCNC(=S)C(c1ccccn1)N(C)C
InChIInChI=1S/C10H15N3S/c1-11-10(14)9(13(2)3)8-6-4-5-7-12-8/h4-7,9H,1-3H3,(H,11,14)
InChIKeyZIZBEAZPHPVKSK-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.23
Rot. Bonds3

About 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide

2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide (PubChem CID 15581954) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide
PubChem CID15581954
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide
SMILESCNC(=S)C(c1ccccn1)N(C)C
InChIInChI=1S/C10H15N3S/c1-11-10(14)9(13(2)3)8-6-4-5-7-12-8/h4-7,9H,1-3H3,(H,11,14)
InChIKeyZIZBEAZPHPVKSK-UHFFFAOYSA-N
XLogP1.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-morpholin-4-yl-2-pyridin-2-ylpropanethioamide
CID 15581964
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
2-(dipropylamino)-N-methyl-3-morpholin-4-yl-3-pyridin-2-ylpropanethioamide
CID 88838342
4-(dimethylamino)-4-pyridin-2-ylbutan-2-one
CID 82125654
3-methylbutyl 3-(methylamino)-2-pyridin-2-yl-3-sulfanylidenepropanoate;hydrochloride
CID 14580265
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
2,2-dipyridin-2-ylethanethioamide
CID 3035355
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylethyl)ethanamine
CID 15806675
(1S)-1-pyridin-2-ylethanol;hydrochloride
CID 71757448
2-N,2-dimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116938957
1-N,1-N,2-trimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116904567

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide?
The IUPAC name of 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide (CID 15581954) is 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide.
What is the SMILES notation for 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide?
The canonical SMILES for 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide is CNC(=S)C(c1ccccn1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide?
The InChIKey is ZIZBEAZPHPVKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-11-10(14)9(13(2)3)8-6-4-5-7-12-8/h4-7,9H,1-3H3,(H,11,14).
What are the key properties of 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide?
2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide has a molecular weight of 209.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-methyl-2-pyridin-2-ylethanethioamide is sourced from PubChem (CID 15581954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).