1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

C14H24N2O3S2 — CID 75440062

IUPAC1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCOCCCS(=O)(=O)N1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C14H24N2O3S2/c1-13-4-5-14(20-13)12-15-6-8-16(9-7-15)21(17,18)11-3-10-19-2/h4-5H,3,6-12H2,1-2H3
InChIKeyKSPZDZYDHYNAMK-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.54
Rot. Bonds7

About 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine

1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (PubChem CID 75440062) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
PubChem CID75440062
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
SMILESCOCCCS(=O)(=O)N1CCN(Cc2ccc(C)s2)CC1
InChIInChI=1S/C14H24N2O3S2/c1-13-4-5-14(20-13)12-15-6-8-16(9-7-15)21(17,18)11-3-10-19-2/h4-5H,3,6-12H2,1-2H3
InChIKeyKSPZDZYDHYNAMK-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
4-(2-Thienylmethyl)-1lambda6,4-thiazinane-1,1-dione
CID 2777268
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4290332
N-[2-[methyl-(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]ethyl]methanesulfonamide
CID 71878230
N-methyl-2-morpholin-4-yl-N-(2-propan-2-yloxyethyl)-2-thiophen-2-ylethanamine
CID 71932902
Piperazine, 1-ethyl-4-(2-thienylmethyl)-(9CI)
CID 763721
1-(Ethylsulfonyl)-4-(2-thienylmethyl)piperazine
CID 770545
Methyl[1-methyl-2-morpholino-2-(2-thienyl)ethylamino](oxo)-lambda-sulfaniumolate
CID 6710462

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine (CID 75440062) is 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is COCCCS(=O)(=O)N1CCN(Cc2ccc(C)s2)CC1.
What is the InChIKey of 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is KSPZDZYDHYNAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-13-4-5-14(20-13)12-15-6-8-16(9-7-15)21(17,18)11-3-10-19-2/h4-5H,3,6-12H2,1-2H3.
What are the key properties of 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine?
1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 332.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylsulfonyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 75440062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).