(3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide

C14H22N4O2S — CID 91910980

IUPAC(3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](CN(C)C)[C@H](NC(=O)c2ccsc2)C1
InChIInChI=1S/C14H22N4O2S/c1-15-14(20)18-7-11(6-17(2)3)12(8-18)16-13(19)10-4-5-21-9-10/h4-5,9,11-12H,6-8H2,1-3H3,(H,15,20)(H,16,19)/t11-,12-/m1/s1
InChIKeyFGIFSOGDXPKZCI-VXGBXAGGSA-N
MW310.42 g/mol
LogP0.68
Rot. Bonds4

About (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide

(3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide (PubChem CID 91910980) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide
PubChem CID91910980
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@@H](CN(C)C)[C@H](NC(=O)c2ccsc2)C1
InChIInChI=1S/C14H22N4O2S/c1-15-14(20)18-7-11(6-17(2)3)12(8-18)16-13(19)10-4-5-21-9-10/h4-5,9,11-12H,6-8H2,1-3H3,(H,15,20)(H,16,19)/t11-,12-/m1/s1
InChIKeyFGIFSOGDXPKZCI-VXGBXAGGSA-N
XLogP0.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide (CID 91910980) is (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide is CNC(=O)N1C[C@@H](CN(C)C)[C@H](NC(=O)c2ccsc2)C1.
What is the InChIKey of (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide?
The InChIKey is FGIFSOGDXPKZCI-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-15-14(20)18-7-11(6-17(2)3)12(8-18)16-13(19)10-4-5-21-9-10/h4-5,9,11-12H,6-8H2,1-3H3,(H,15,20)(H,16,19)/t11-,12-/m1/s1.
What are the key properties of (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide?
(3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(dimethylamino)methyl]-N-methyl-4-(thiophene-3-carbonylamino)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91910980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).