1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide

C10H22N2O2S2 — CID 106084518

IUPAC1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C10H22N2O2S2/c1-3-11-8-9(2)16(13,14)12-10-4-6-15-7-5-10/h9-12H,3-8H2,1-2H3
InChIKeyYFYPGZXDMKYKDW-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.80
Rot. Bonds6

About 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide

1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide (PubChem CID 106084518) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
PubChem CID106084518
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide
SMILESCCNCC(C)S(=O)(=O)NC1CCSCC1
InChIInChI=1S/C10H22N2O2S2/c1-3-11-8-9(2)16(13,14)12-10-4-6-15-7-5-10/h9-12H,3-8H2,1-2H3
InChIKeyYFYPGZXDMKYKDW-UHFFFAOYSA-N
XLogP0.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-N-(oxolan-3-yl)propane-2-sulfonamide
CID 106072560
1-(ethylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077364
N-(2,2-dimethyloxan-4-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106075173
N-(2,3-dimethylcyclohexyl)-1-(ethylamino)propane-2-sulfonamide
CID 106060304
N-(3,4-dimethylcyclohexyl)-1-(propylamino)propane-2-sulfonamide
CID 106067403
N-(thiolan-3-yl)propane-2-sulfonamide
CID 103698011
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(ethylamino)propane-2-sulfonamide
CID 106004615
N-cyclohexylbutane-2-sulfonamide
CID 59716186
1-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)propane-2-sulfonamide
CID 106077363
1-(ethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonamide
CID 106019118
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
N-(1-ethylsulfonylpropan-2-yl)thian-4-amine
CID 115626125

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide?
The IUPAC name of 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide (CID 106084518) is 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide?
The canonical SMILES for 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide is CCNCC(C)S(=O)(=O)NC1CCSCC1.
What is the InChIKey of 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide?
The InChIKey is YFYPGZXDMKYKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-3-11-8-9(2)16(13,14)12-10-4-6-15-7-5-10/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide?
1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide has a molecular weight of 266.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-N-(thian-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 106084518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).