N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide

C14H22N2OS — CID 115272348

IUPACN-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESCc1ccsc1CCC(=O)N(C)CC1CCNC1
InChIInChI=1S/C14H22N2OS/c1-11-6-8-18-13(11)3-4-14(17)16(2)10-12-5-7-15-9-12/h6,8,12,15H,3-5,7,9-10H2,1-2H3
InChIKeyJRPMQFZLFSCGJO-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide

N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide (PubChem CID 115272348) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide
PubChem CID115272348
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESCc1ccsc1CCC(=O)N(C)CC1CCNC1
InChIInChI=1S/C14H22N2OS/c1-11-6-8-18-13(11)3-4-14(17)16(2)10-12-5-7-15-9-12/h6,8,12,15H,3-5,7,9-10H2,1-2H3
InChIKeyJRPMQFZLFSCGJO-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide (CID 115272348) is N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide is Cc1ccsc1CCC(=O)N(C)CC1CCNC1.
What is the InChIKey of N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide?
The InChIKey is JRPMQFZLFSCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-11-6-8-18-13(11)3-4-14(17)16(2)10-12-5-7-15-9-12/h6,8,12,15H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide?
N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide has a molecular weight of 266.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylthiophen-2-yl)-N-(pyrrolidin-3-ylmethyl)propanamide is sourced from PubChem (CID 115272348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).