(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide

C15H21N3O2S — CID 162697997

IUPAC(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)s1
InChIInChI=1S/C15H21N3O2S/c1-17-8-4-5-11(17)14(19)16-13-7-6-12(21-13)15(20)18-9-2-3-10-18/h6-7,11H,2-5,8-10H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyUZFJSVRFQKNXJI-NSHDSACASA-N
MW307.42 g/mol
LogP2.02
Rot. Bonds3

About (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide

(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide (PubChem CID 162697997) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
PubChem CID162697997
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)s1
InChIInChI=1S/C15H21N3O2S/c1-17-8-4-5-11(17)14(19)16-13-7-6-12(21-13)15(20)18-9-2-3-10-18/h6-7,11H,2-5,8-10H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeyUZFJSVRFQKNXJI-NSHDSACASA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
(2S)-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 162697980
N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86893779
N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86903169
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 87026330
5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 174205004
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 18209373

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide (CID 162697997) is (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)s1.
What is the InChIKey of (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UZFJSVRFQKNXJI-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-17-8-4-5-11(17)14(19)16-13-7-6-12(21-13)15(20)18-9-2-3-10-18/h6-7,11H,2-5,8-10H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162697997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).