N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide

C13H24N2O2S2 — CID 106069012

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C13H24N2O2S2/c1-4-7-14-8-9-19(16,17)15-11(2)10-13-6-5-12(3)18-13/h5-6,11,14-15H,4,7-10H2,1-3H3
InChIKeyPURDNIMEYHKFMT-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.91
Rot. Bonds9

About N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide

N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide (PubChem CID 106069012) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
PubChem CID106069012
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide
SMILESCCCNCCS(=O)(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C13H24N2O2S2/c1-4-7-14-8-9-19(16,17)15-11(2)10-13-6-5-12(3)18-13/h5-6,11,14-15H,4,7-10H2,1-3H3
InChIKeyPURDNIMEYHKFMT-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1-sulfonamide
CID 114135134
1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723805
4-(propylamino)-N-(1-thiophen-3-ylpropan-2-yl)butane-1-sulfonamide
CID 106053238
5-bromo-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 79995810
4-(5-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 65305267
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
3-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzenesulfonamide
CID 81258877
N-[1-(4-bromophenyl)ethyl]-2-(propylamino)ethanesulfonamide
CID 106049594
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
N-(3-methylpentan-2-yl)-2-(propylamino)ethanesulfonamide
CID 106053850
methyl 2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]butanoate
CID 113292625
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
CID 103390068

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide (CID 106069012) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide is CCCNCCS(=O)(=O)NC(C)Cc1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide?
The InChIKey is PURDNIMEYHKFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-4-7-14-8-9-19(16,17)15-11(2)10-13-6-5-12(3)18-13/h5-6,11,14-15H,4,7-10H2,1-3H3.
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide has a molecular weight of 304.48 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-(propylamino)ethanesulfonamide is sourced from PubChem (CID 106069012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).