4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide

C14H23N3OS — CID 134406200

IUPAC4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide
SMILESCCN(CCCC(=O)NSC)Cc1ccc(C)nc1
InChIInChI=1S/C14H23N3OS/c1-4-17(9-5-6-14(18)16-19-3)11-13-8-7-12(2)15-10-13/h7-8,10H,4-6,9,11H2,1-3H3,(H,16,18)
InChIKeyHAHTWJVWZFBPPW-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.39
Rot. Bonds8

About 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide

4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide (PubChem CID 134406200) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide.

Molecular Properties

Compound Name4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide
PubChem CID134406200
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide
SMILESCCN(CCCC(=O)NSC)Cc1ccc(C)nc1
InChIInChI=1S/C14H23N3OS/c1-4-17(9-5-6-14(18)16-19-3)11-13-8-7-12(2)15-10-13/h7-8,10H,4-6,9,11H2,1-3H3,(H,16,18)
InChIKeyHAHTWJVWZFBPPW-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
N'-[(6-methyl-3-pyridinyl)methyl]-N-(1-methylsulfanylethenyl)-N'-prop-2-enylethane-1,2-diamine
CID 143485029
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-N-(2-methylsulfanylethyl)propan-1-amine
CID 143515436
methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340
2-[4-[[butyl(ethyl)amino]methyl]phenyl]acetohydrazide
CID 105351648
4-[ethyl-[(6-methylnaphthalen-2-yl)methyl]amino]butanoic acid
CID 144687720
N'-[(6-chloro-3-pyridinyl)methyl]-N'-ethyl-N-(1-methylsulfanyl-2-nitroethenyl)ethane-1,2-diamine
CID 72727593
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
CID 62997361

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide?
The IUPAC name of 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide (CID 134406200) is 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide.
What is the SMILES notation for 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide?
The canonical SMILES for 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide is CCN(CCCC(=O)NSC)Cc1ccc(C)nc1.
What is the InChIKey of 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide?
The InChIKey is HAHTWJVWZFBPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-4-17(9-5-6-14(18)16-19-3)11-13-8-7-12(2)15-10-13/h7-8,10H,4-6,9,11H2,1-3H3,(H,16,18).
What are the key properties of 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide?
4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide has a molecular weight of 281.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(6-methyl-3-pyridinyl)methyl]amino]-N-methylsulfanylbutanamide is sourced from PubChem (CID 134406200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).