N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

C14H24N2O2S2 — CID 72873311

IUPACN-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(CN2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)s1
InChIInChI=1S/C14H24N2O2S2/c1-10(2)13-8-16(7-12-6-5-11(3)19-12)9-14(13)15-20(4,17)18/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14+/m0/s1
InChIKeyKIYLOZPWTVDHOV-UONOGXRCSA-N
MW316.49 g/mol
LogP2.06
Rot. Bonds5

About N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide

N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 72873311) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
PubChem CID72873311
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc(CN2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)s1
InChIInChI=1S/C14H24N2O2S2/c1-10(2)13-8-16(7-12-6-5-11(3)19-12)9-14(13)15-20(4,17)18/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14+/m0/s1
InChIKeyKIYLOZPWTVDHOV-UONOGXRCSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R,3aR,6aR)-5-[(5-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]methanesulfonamide
CID 124815695
N-[(3S,4R)-4-propan-2-yl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanesulfonamide
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CID 122125506
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2-methyl-1-[4-[(5-methylthiophen-2-yl)methyl]piperazin-1-yl]propan-1-one
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(3S,4R)-3-(dimethylsulfamoylamino)-1-(2-phenylethyl)-4-propan-2-ylpyrrolidine
CID 72891795
(3S,4R)-3-(dimethylsulfamoylamino)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-propan-2-ylpyrrolidine
CID 72931510
N-[9-[(5-methylthiophen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide (CID 72873311) is N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is Cc1ccc(CN2C[C@@H](NS(C)(=O)=O)[C@H](C(C)C)C2)s1.
What is the InChIKey of N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is KIYLOZPWTVDHOV-UONOGXRCSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10(2)13-8-16(7-12-6-5-11(3)19-12)9-14(13)15-20(4,17)18/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide?
N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-[(5-methylthiophen-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 72873311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).