N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide

C15H22N2OS — CID 95303166

IUPACN-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)s1
InChIInChI=1S/C15H22N2OS/c1-10-7-14(11(2)19-10)15(18)16-8-12-5-6-17(9-12)13-3-4-13/h7,12-13H,3-6,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyDODQUWIOUFLTCM-LBPRGKRZSA-N
MW278.42 g/mol
LogP2.58
Rot. Bonds4

About N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide

N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 95303166) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID95303166
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)s1
InChIInChI=1S/C15H22N2OS/c1-10-7-14(11(2)19-10)15(18)16-8-12-5-6-17(9-12)13-3-4-13/h7,12-13H,3-6,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyDODQUWIOUFLTCM-LBPRGKRZSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792040
2-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodobenzamide
CID 103994708
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methoxybenzamide
CID 61118366
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-iodothiophene-3-carboxamide
CID 78950614
4-amino-2-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]benzamide;dihydrochloride
CID 119854816
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 78870882
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-ethylsulfinylbenzamide
CID 146085428
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 78870756

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide (CID 95303166) is N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c(C)s1.
What is the InChIKey of N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is DODQUWIOUFLTCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-7-14(11(2)19-10)15(18)16-8-12-5-6-17(9-12)13-3-4-13/h7,12-13H,3-6,8-9H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide?
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 95303166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).