N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide

C14H24N2O3S2 — CID 131909580

IUPACN-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide
SMILESCc1csc(S(=O)(=O)NCCCN2CCCC(CO)C2)c1
InChIInChI=1S/C14H24N2O3S2/c1-12-8-14(20-11-12)21(18,19)15-5-3-7-16-6-2-4-13(9-16)10-17/h8,11,13,15,17H,2-7,9-10H2,1H3
InChIKeyBPLQKLDHUXSOSK-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.43
Rot. Bonds7

About N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide

N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide (PubChem CID 131909580) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide
PubChem CID131909580
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide
SMILESCc1csc(S(=O)(=O)NCCCN2CCCC(CO)C2)c1
InChIInChI=1S/C14H24N2O3S2/c1-12-8-14(20-11-12)21(18,19)15-5-3-7-16-6-2-4-13(9-16)10-17/h8,11,13,15,17H,2-7,9-10H2,1H3
InChIKeyBPLQKLDHUXSOSK-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-[3-[3-(hydroxymethyl)piperidin-1-yl]propylsulfamoyl]benzoic acid
CID 131949145
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
2,5-dimethyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061337
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131922825
3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-6-methyl-4-oxopyran-2-carboxamide
CID 118791684
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
[(3R)-1-(3-methoxypropyl)piperidin-3-yl]methanol
CID 129367340
1-cyclopropyl-3-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-1-(thiophen-3-ylmethyl)urea
CID 121496928
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131951666
2,5-dichloro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 95397422

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide (CID 131909580) is N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide is Cc1csc(S(=O)(=O)NCCCN2CCCC(CO)C2)c1.
What is the InChIKey of N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is BPLQKLDHUXSOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-12-8-14(20-11-12)21(18,19)15-5-3-7-16-6-2-4-13(9-16)10-17/h8,11,13,15,17H,2-7,9-10H2,1H3.
What are the key properties of N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide?
N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 131909580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).