2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine

C11H23NO2S2 — CID 106724468

IUPAC2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCC1CCSCC1
InChIInChI=1S/C11H23NO2S2/c1-2-8-16(13,14)9-5-12-10-11-3-6-15-7-4-11/h11-12H,2-10H2,1H3
InChIKeyHBYBMUSVJDOZML-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.54
Rot. Bonds7

About 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine

2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine (PubChem CID 106724468) has the molecular formula C11H23NO2S2 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
PubChem CID106724468
Molecular FormulaC11H23NO2S2
Molecular Weight265.44 g/mol
Exact Mass265.12
IUPAC Name2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
SMILESCCCS(=O)(=O)CCNCC1CCSCC1
InChIInChI=1S/C11H23NO2S2/c1-2-8-16(13,14)9-5-12-10-11-3-6-15-7-4-11/h11-12H,2-10H2,1H3
InChIKeyHBYBMUSVJDOZML-UHFFFAOYSA-N
XLogP1.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propylsulfonylethyl)thian-4-amine
CID 106724514
N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723274
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166323
methyl 2-(2-propylsulfonylethylamino)acetate
CID 106722896
2-ethylsulfonyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103710561
2-[3-(2-propylsulfonylethylamino)propoxy]ethanol
CID 106309894
N-(2-chloroethyl)-2-propylsulfonylethanamine
CID 106730959
3-(methylamino)-N-(thian-4-ylmethyl)propane-1-sulfonamide
CID 106078594
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490
2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
CID 106335897
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153

Frequently Asked Questions

What is the IUPAC name of 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine?
The IUPAC name of 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine (CID 106724468) is 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine?
The canonical SMILES for 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine is CCCS(=O)(=O)CCNCC1CCSCC1.
What is the InChIKey of 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine?
The InChIKey is HBYBMUSVJDOZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S2/c1-2-8-16(13,14)9-5-12-10-11-3-6-15-7-4-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine?
2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine has a molecular weight of 265.44 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine is sourced from PubChem (CID 106724468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).