N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide

C14H23N3O3S2 — CID 119544649

IUPACN-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
SMILESCNCC1CCN(C(=O)C(C)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-11(16-22(19,20)13-4-3-9-21-13)14(18)17-7-5-12(6-8-17)10-15-2/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3
InChIKeyBQGUUSRORUFIOH-UHFFFAOYSA-N
MW345.49 g/mol
LogP0.87
Rot. Bonds6

About N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide

N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide (PubChem CID 119544649) has the molecular formula C14H23N3O3S2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
PubChem CID119544649
Molecular FormulaC14H23N3O3S2
Molecular Weight345.49 g/mol
Exact Mass345.12
IUPAC NameN-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
SMILESCNCC1CCN(C(=O)C(C)NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C14H23N3O3S2/c1-11(16-22(19,20)13-4-3-9-21-13)14(18)17-7-5-12(6-8-17)10-15-2/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3
InChIKeyBQGUUSRORUFIOH-UHFFFAOYSA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119646130
N-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide;hydrochloride
CID 119623383
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119662992
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119594615
4-[2-(thiophen-2-ylsulfonylamino)propanoyl]morpholine-2-carboxylic acid
CID 119240076
2-fluoro-N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119539702
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide
CID 56535717
N-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 60547640
2-[2-(thiophen-2-ylsulfonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196202
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 48851978

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide (CID 119544649) is N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide is CNCC1CCN(C(=O)C(C)NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
The InChIKey is BQGUUSRORUFIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S2/c1-11(16-22(19,20)13-4-3-9-21-13)14(18)17-7-5-12(6-8-17)10-15-2/h3-4,9,11-12,15-16H,5-8,10H2,1-2H3.
What are the key properties of N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide?
N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide has a molecular weight of 345.49 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 119544649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).