3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide

C15H24N2O2S2 — CID 106071641

IUPAC3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCC(C)NCc1cccc(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-12(2)16-10-13-5-3-7-15(9-13)21(18,19)17-11-14-6-4-8-20-14/h3,5,7,9,12,14,16-17H,4,6,8,10-11H2,1-2H3
InChIKeyAKIPQQITKGVXHV-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.36
Rot. Bonds7

About 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide

3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide (PubChem CID 106071641) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
PubChem CID106071641
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide
SMILESCC(C)NCc1cccc(S(=O)(=O)NCC2CCCS2)c1
InChIInChI=1S/C15H24N2O2S2/c1-12(2)16-10-13-5-3-7-15(9-13)21(18,19)17-11-14-6-4-8-20-14/h3,5,7,9,12,14,16-17H,4,6,8,10-11H2,1-2H3
InChIKeyAKIPQQITKGVXHV-UHFFFAOYSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071571
3-(methylaminomethyl)-N-(thian-2-ylmethyl)benzenesulfonamide
CID 106072115
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071732
N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 114141820
N-(3-methylbutan-2-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106029965
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
N-(2-methyl-2-methylsulfanylpropyl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106080889
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
4-amino-3-methoxy-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 81438293
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512
N-methyl-N-(oxolan-3-yl)-3-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82748703

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide (CID 106071641) is 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide is CC(C)NCc1cccc(S(=O)(=O)NCC2CCCS2)c1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is AKIPQQITKGVXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-12(2)16-10-13-5-3-7-15(9-13)21(18,19)17-11-14-6-4-8-20-14/h3,5,7,9,12,14,16-17H,4,6,8,10-11H2,1-2H3.
What are the key properties of 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide?
3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106071641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).