1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide

C10H18N2O2S2 — CID 106050246

IUPAC1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)C(C)CN)s1
InChIInChI=1S/C10H18N2O2S2/c1-7-4-5-10(15-7)9(3)12-16(13,14)8(2)6-11/h4-5,8-9,12H,6,11H2,1-3H3
InChIKeyBQNFBGGGEOIZEY-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.38
Rot. Bonds5

About 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide

1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide (PubChem CID 106050246) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
PubChem CID106050246
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)C(C)CN)s1
InChIInChI=1S/C10H18N2O2S2/c1-7-4-5-10(15-7)9(3)12-16(13,14)8(2)6-11/h4-5,8-9,12H,6,11H2,1-3H3
InChIKeyBQNFBGGGEOIZEY-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050355
1-amino-N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 106056537
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
4-(aminomethyl)-2-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106050184
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
2-amino-4-bromo-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61474985
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 60862958
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
3-amino-5-fluoro-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 116791724

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide (CID 106050246) is 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)C(C)CN)s1.
What is the InChIKey of 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide?
The InChIKey is BQNFBGGGEOIZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-7-4-5-10(15-7)9(3)12-16(13,14)8(2)6-11/h4-5,8-9,12H,6,11H2,1-3H3.
What are the key properties of 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide?
1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide has a molecular weight of 262.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106050246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).