N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide

C14H23N3OS — CID 91910916

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)s1
InChIInChI=1S/C14H23N3OS/c1-10-5-6-13(19-10)14(18)15-12-9-17(4)8-11(12)7-16(2)3/h5-6,11-12H,7-9H2,1-4H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyNFHMXMOSYTUZOF-VXGBXAGGSA-N
MW281.42 g/mol
LogP1.28
Rot. Bonds4

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide (PubChem CID 91910916) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
PubChem CID91910916
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)s1
InChIInChI=1S/C14H23N3OS/c1-10-5-6-13(19-10)14(18)15-12-9-17(4)8-11(12)7-16(2)3/h5-6,11-12H,7-9H2,1-4H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyNFHMXMOSYTUZOF-VXGBXAGGSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093408
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
5-methyl-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 3573521
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
N-cycloheptylthiophene-2-carboxamide
CID 2057917

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide (CID 91910916) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)s1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide?
The InChIKey is NFHMXMOSYTUZOF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-5-6-13(19-10)14(18)15-12-9-17(4)8-11(12)7-16(2)3/h5-6,11-12H,7-9H2,1-4H3,(H,15,18)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 91910916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).