N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

C17H28N2O4S2 — CID 48851978

IUPACN-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCC(C)CCOC(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H28N2O4S2/c1-13(2)8-11-23-14(3)17(20)19-9-6-15(7-10-19)18-25(21,22)16-5-4-12-24-16/h4-5,12-15,18H,6-11H2,1-3H3
InChIKeyMTNMETQFXFKDIS-UHFFFAOYSA-N
MW388.56 g/mol
LogP2.47
Rot. Bonds8

About N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 48851978) has the molecular formula C17H28N2O4S2 and a molecular weight of 388.56 g/mol. Its IUPAC name is N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID48851978
Molecular FormulaC17H28N2O4S2
Molecular Weight388.56 g/mol
Exact Mass388.15
IUPAC NameN-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCC(C)CCOC(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H28N2O4S2/c1-13(2)8-11-23-14(3)17(20)19-9-6-15(7-10-19)18-25(21,22)16-5-4-12-24-16/h4-5,12-15,18H,6-11H2,1-3H3
InChIKeyMTNMETQFXFKDIS-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[3-methyl-1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55479196
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
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-(4-nitrophenyl)sulfanylpropanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 46604032
N-[4-(furan-2-yl)butan-2-yl]-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 55569665
3-(4-methoxyphenyl)-N-[1-oxo-1-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propan-2-yl]prop-2-enamide
CID 55477911
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 48851978) is N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is CC(C)CCOC(C)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is MTNMETQFXFKDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S2/c1-13(2)8-11-23-14(3)17(20)19-9-6-15(7-10-19)18-25(21,22)16-5-4-12-24-16/h4-5,12-15,18H,6-11H2,1-3H3.
What are the key properties of N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 388.56 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylbutoxy)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 48851978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).