N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

C16H26N4O3S2 — CID 97274825

IUPACN-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C16H26N4O3S2/c1-18-7-9-19(10-8-18)16(21)20-6-2-4-14(13-20)12-17-25(22,23)15-5-3-11-24-15/h3,5,11,14,17H,2,4,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyUYPZGZLDEINNBS-AWEZNQCLSA-N
MW386.54 g/mol
LogP1.11
Rot. Bonds4

About N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide

N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 97274825) has the molecular formula C16H26N4O3S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID97274825
Molecular FormulaC16H26N4O3S2
Molecular Weight386.54 g/mol
Exact Mass386.14
IUPAC NameN-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
SMILESCN1CCN(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C16H26N4O3S2/c1-18-7-9-19(10-8-18)16(21)20-6-2-4-14(13-20)12-17-25(22,23)15-5-3-11-24-15/h3,5,11,14,17H,2,4,6-10,12-13H2,1H3/t14-/m0/s1
InChIKeyUYPZGZLDEINNBS-AWEZNQCLSA-N
XLogP1.11
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]thiophene-2-sulfonamide
CID 142818973
N-[[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42475731
N-[[1-(4-thiophen-2-ylbutanoyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45252310
N-[[(3R)-1-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 25489580
N-[[(3S)-1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42510091
N-[[(3R)-1-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carbonyl]piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 42557854
N-[[1-(2-quinazolin-4-yloxyacetyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 45207609
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97216650
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide (CID 97274825) is N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is CN1CCN(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)CC1.
What is the InChIKey of N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is UYPZGZLDEINNBS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O3S2/c1-18-7-9-19(10-8-18)16(21)20-6-2-4-14(13-20)12-17-25(22,23)15-5-3-11-24-15/h3,5,11,14,17H,2,4,6-10,12-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide?
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 386.54 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 97274825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).