N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C13H22N2O3S2 — CID 106065252

IUPACN-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1sccc1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C13H22N2O3S2/c1-10(2)14-8-12-13(5-7-19-12)20(16,17)15-11-4-3-6-18-9-11/h5,7,10-11,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyJLPKQLJUHALOAH-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.70
Rot. Bonds6

About N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106065252) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106065252
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1sccc1S(=O)(=O)NC1CCCOC1
InChIInChI=1S/C13H22N2O3S2/c1-10(2)14-8-12-13(5-7-19-12)20(16,17)15-11-4-3-6-18-9-11/h5,7,10-11,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyJLPKQLJUHALOAH-UHFFFAOYSA-N
XLogP1.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106072385
2-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084380
2-[(propan-2-ylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081448
N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093026
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
CID 114135006
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
5-(methylaminomethyl)-N-(oxan-3-yl)thiophene-2-sulfonamide
CID 106065205
4-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 63361233
2-chloro-5-(ethylaminomethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 106065187
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106065252) is N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1sccc1S(=O)(=O)NC1CCCOC1.
What is the InChIKey of N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is JLPKQLJUHALOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-10(2)14-8-12-13(5-7-19-12)20(16,17)15-11-4-3-6-18-9-11/h5,7,10-11,14-15H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).