N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide

C14H20N2OS — CID 107029608

IUPACN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCC(CN(C)C(=O)c2cccc(S)c2)C1
InChIInChI=1S/C14H20N2OS/c1-15-7-6-11(9-15)10-16(2)14(17)12-4-3-5-13(18)8-12/h3-5,8,11,18H,6-7,9-10H2,1-2H3
InChIKeyYGFIBZWRADYALF-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.00
Rot. Bonds3

About N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide (PubChem CID 107029608) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
PubChem CID107029608
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
SMILESCN1CCC(CN(C)C(=O)c2cccc(S)c2)C1
InChIInChI=1S/C14H20N2OS/c1-15-7-6-11(9-15)10-16(2)14(17)12-4-3-5-13(18)8-12/h3-5,8,11,18H,6-7,9-10H2,1-2H3
InChIKeyYGFIBZWRADYALF-UHFFFAOYSA-N
XLogP2.00
TPSA23.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
N-(cyclopropylmethyl)-N-propyl-3-sulfanylbenzamide
CID 107024680
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide (CID 107029608) is N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide is CN1CCC(CN(C)C(=O)c2cccc(S)c2)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is YGFIBZWRADYALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-15-7-6-11(9-15)10-16(2)14(17)12-4-3-5-13(18)8-12/h3-5,8,11,18H,6-7,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide?
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 264.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107029608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).