N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

C15H22N2O3S — CID 86283151

IUPACN-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CN(C(CO)CO)C[C@@H]1C1CC1)c1ccsc1
InChIInChI=1S/C15H22N2O3S/c18-7-12(8-19)17-5-13(10-1-2-10)14(6-17)16-15(20)11-3-4-21-9-11/h3-4,9-10,12-14,18-19H,1-2,5-8H2,(H,16,20)/t13-,14+/m1/s1
InChIKeySGAFLDQQRHXCMU-KGLIPLIRSA-N
MW310.42 g/mol
LogP0.54
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide

N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 86283151) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID86283151
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CN(C(CO)CO)C[C@@H]1C1CC1)c1ccsc1
InChIInChI=1S/C15H22N2O3S/c18-7-12(8-19)17-5-13(10-1-2-10)14(6-17)16-15(20)11-3-4-21-9-11/h3-4,9-10,12-14,18-19H,1-2,5-8H2,(H,16,20)/t13-,14+/m1/s1
InChIKeySGAFLDQQRHXCMU-KGLIPLIRSA-N
XLogP0.54
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 26319257
N-(1-hydroxy-3-methylpentan-2-yl)thiophene-3-carboxamide
CID 21571879
N-[(3R)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 26319256
N-[3-(1-hydroxypropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43418753
N-[3-[2-hydroxyethyl(propan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 43573468
N-[3-[cyclopropyl(2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 43576493
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylthiophene-3-carboxamide
CID 43595849
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-3-thiophenecarboxamide
CID 45228603
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-3-carboxamide
CID 55132697
N-[3-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55173132
(3S*,4S*)-4-[4-(hydroxymethyl)-1-piperidinyl]-1-(3-thienylcarbonyl)-3-pyrrolidinol
CID 56893901
N-[3-[(1-hydroxy-4-methylpentan-2-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 61246200

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide (CID 86283151) is N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is O=C(N[C@H]1CN(C(CO)CO)C[C@@H]1C1CC1)c1ccsc1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is SGAFLDQQRHXCMU-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N2O3S/c18-7-12(8-19)17-5-13(10-1-2-10)14(6-17)16-15(20)11-3-4-21-9-11/h3-4,9-10,12-14,18-19H,1-2,5-8H2,(H,16,20)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide?
N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(1,3-dihydroxypropan-2-yl)pyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 86283151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).