N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide

C15H25N3OS — CID 120905800

IUPACN-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(Cc1ccsc1)CC1(C)CCNC1
InChIInChI=1S/C15H25N3OS/c1-13(19)17-6-7-18(9-14-3-8-20-10-14)12-15(2)4-5-16-11-15/h3,8,10,16H,4-7,9,11-12H2,1-2H3,(H,17,19)
InChIKeyBMPKWYOSFZTPER-UHFFFAOYSA-N
MW295.45 g/mol
LogP1.69
Rot. Bonds7

About N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide

N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide (PubChem CID 120905800) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide
PubChem CID120905800
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide
SMILESCC(=O)NCCN(Cc1ccsc1)CC1(C)CCNC1
InChIInChI=1S/C15H25N3OS/c1-13(19)17-6-7-18(9-14-3-8-20-10-14)12-15(2)4-5-16-11-15/h3,8,10,16H,4-7,9,11-12H2,1-2H3,(H,17,19)
InChIKeyBMPKWYOSFZTPER-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide (CID 120905800) is N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide is CC(=O)NCCN(Cc1ccsc1)CC1(C)CCNC1.
What is the InChIKey of N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
The InChIKey is BMPKWYOSFZTPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-13(19)17-6-7-18(9-14-3-8-20-10-14)12-15(2)4-5-16-11-15/h3,8,10,16H,4-7,9,11-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide?
N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide has a molecular weight of 295.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methylpyrrolidin-3-yl)methyl-(thiophen-3-ylmethyl)amino]ethyl]acetamide is sourced from PubChem (CID 120905800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).