N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide

C15H24N2O3S2 — CID 97216650

IUPACN-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H](Cc1cccs1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C15H24N2O3S2/c1-12(9-14-6-4-8-21-14)15(18)17-7-3-5-13(11-17)10-16-22(2,19)20/h4,6,8,12-13,16H,3,5,7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyAZZCRHZVUPPQDW-CHWSQXEVSA-N
MW344.50 g/mol
LogP1.71
Rot. Bonds6

About N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 97216650) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID97216650
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC NameN-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESC[C@H](Cc1cccs1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1
InChIInChI=1S/C15H24N2O3S2/c1-12(9-14-6-4-8-21-14)15(18)17-7-3-5-13(11-17)10-16-22(2,19)20/h4,6,8,12-13,16H,3,5,7,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyAZZCRHZVUPPQDW-CHWSQXEVSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111560882
1-(2-amino-2-thiophen-2-ylacetyl)-3-[(sulfamoylamino)methyl]piperidine
CID 115286723
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
(2S)-2-methyl-3-thiophen-2-yl-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95776589
N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
N-[[(3R)-1-(3-methylsulfanylthiophene-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 95615382
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
CID 60964076
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45252310
N-[(2S)-1-[3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 55940304

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide (CID 97216650) is N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide is C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is AZZCRHZVUPPQDW-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-12(9-14-6-4-8-21-14)15(18)17-7-3-5-13(11-17)10-16-22(2,19)20/h4,6,8,12-13,16H,3,5,7,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 344.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97216650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).