(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide

C16H26N4OS — CID 56722804

IUPAC(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(CN2CCCC2)cs1
InChIInChI=1S/C16H26N4OS/c1-18-16(21)15-7-13(17)9-20(15)10-14-6-12(11-22-14)8-19-4-2-3-5-19/h6,11,13,15H,2-5,7-10,17H2,1H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyPIVVOAXHNFDEQJ-HIFRSBDPSA-N
MW322.48 g/mol
LogP0.99
Rot. Bonds5

About (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56722804) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID56722804
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(CN2CCCC2)cs1
InChIInChI=1S/C16H26N4OS/c1-18-16(21)15-7-13(17)9-20(15)10-14-6-12(11-22-14)8-19-4-2-3-5-19/h6,11,13,15H,2-5,7-10,17H2,1H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyPIVVOAXHNFDEQJ-HIFRSBDPSA-N
XLogP0.99
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 70708646
(2S,4R)-4-amino-1-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70779572
(2S,4R)-4-amino-1-[(5-cyclohexylthiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70737374
(3R)-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine-3-carboxylic acid
CID 91840101
1-[(3R,4S)-4-hydroxy-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134709129
ethyl 4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45228014
1-methyl-4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]piperidine
CID 56901814
2-phenyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine
CID 135110379
(2S,4S)-4-amino-N-methyl-1-[(2-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 56701641
1-[[5-[[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]thiophen-3-yl]methyl]pyrrolidine
CID 99933692
(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 56719615
1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 131896536

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide (CID 56722804) is (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(CN2CCCC2)cs1.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is PIVVOAXHNFDEQJ-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-18-16(21)15-7-13(17)9-20(15)10-14-6-12(11-22-14)8-19-4-2-3-5-19/h6,11,13,15H,2-5,7-10,17H2,1H3,(H,18,21)/t13-,15+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56722804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).