N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide

C18H21N3O2S — CID 120806601

IUPACN-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCC1(CN)CCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1
InChIInChI=1S/C18H21N3O2S/c1-18(11-19)8-9-21(12-18)17(23)13-5-2-3-6-14(13)20-16(22)15-7-4-10-24-15/h2-7,10H,8-9,11-12,19H2,1H3,(H,20,22)
InChIKeyQXAUXUDSCKLFFQ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.81
Rot. Bonds4

About N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide

N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide (PubChem CID 120806601) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
PubChem CID120806601
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
SMILESCC1(CN)CCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1
InChIInChI=1S/C18H21N3O2S/c1-18(11-19)8-9-21(12-18)17(23)13-5-2-3-6-14(13)20-16(22)15-7-4-10-24-15/h2-7,10H,8-9,11-12,19H2,1H3,(H,20,22)
InChIKeyQXAUXUDSCKLFFQ-UHFFFAOYSA-N
XLogP2.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 56518765
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone;hydrochloride
CID 120810274
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 4948035
N-[2-(1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119415438
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-difluorophenyl)methanone
CID 120805675
N-[2-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]thiophene-2-carboxamide
CID 119636218
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-nitrophenyl)methanone;hydrochloride
CID 120804354
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
CID 120804729
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 107160173
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(N-methylanilino)phenyl]methanone;hydrochloride
CID 120810010

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide (CID 120806601) is N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide is CC1(CN)CCN(C(=O)c2ccccc2NC(=O)c2cccs2)C1.
What is the InChIKey of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
The InChIKey is QXAUXUDSCKLFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(11-19)8-9-21(12-18)17(23)13-5-2-3-6-14(13)20-16(22)15-7-4-10-24-15/h2-7,10H,8-9,11-12,19H2,1H3,(H,20,22).
What are the key properties of N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide?
N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 120806601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).