N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide

C13H16N2O2S — CID 99997263

IUPACN-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide
SMILESCn1cccc1[C@@H](O)CCNC(=O)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c1-15-7-2-3-11(15)12(16)4-6-14-13(17)10-5-8-18-9-10/h2-3,5,7-9,12,16H,4,6H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeyAFGBKIVPERUBSD-LBPRGKRZSA-N
MW264.35 g/mol
LogP1.94
Rot. Bonds5

About N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide

N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide (PubChem CID 99997263) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide
PubChem CID99997263
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide
SMILESCn1cccc1[C@@H](O)CCNC(=O)c1ccsc1
InChIInChI=1S/C13H16N2O2S/c1-15-7-2-3-11(15)12(16)4-6-14-13(17)10-5-8-18-9-10/h2-3,5,7-9,12,16H,4,6H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeyAFGBKIVPERUBSD-LBPRGKRZSA-N
XLogP1.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]benzamide
CID 86266713
N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 99997411
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-(4-hydroxypentyl)thiophene-3-carboxamide
CID 107299586
2-(2-fluorophenoxy)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]acetamide
CID 86266717
N-[4-(3-hydroxybutylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 111429071
N'-[(4-fluorophenyl)methyl]-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]oxamide
CID 86266786
N'-[(4-fluorophenyl)methyl]-N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]oxamide
CID 99997989
1-cyclohexyl-3-[(3R)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]urea
CID 99998094
N-(1-methyl-2-oxo-3-pyridinyl)thiophene-3-carboxamide
CID 86768883
(E)-3-(2-chlorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]prop-2-enamide
CID 86266725
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide (CID 99997263) is N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide is Cn1cccc1[C@@H](O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide?
The InChIKey is AFGBKIVPERUBSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15-7-2-3-11(15)12(16)4-6-14-13(17)10-5-8-18-9-10/h2-3,5,7-9,12,16H,4,6H2,1H3,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide?
N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 99997263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).