N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H22N2O2S2 — CID 106063941

IUPACN-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccsc1CNC
InChIInChI=1S/C13H22N2O2S2/c1-3-11(8-10-4-5-10)15-19(16,17)13-6-7-18-12(13)9-14-2/h6-7,10-11,14-15H,3-5,8-9H2,1-2H3
InChIKeyOAXFQKXUSUBYNH-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.32
Rot. Bonds8

About N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide

N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106063941) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106063941
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCC(CC1CC1)NS(=O)(=O)c1ccsc1CNC
InChIInChI=1S/C13H22N2O2S2/c1-3-11(8-10-4-5-10)15-19(16,17)13-6-7-18-12(13)9-14-2/h6-7,10-11,14-15H,3-5,8-9H2,1-2H3
InChIKeyOAXFQKXUSUBYNH-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-3-sulfonamide
CID 106063961
3-bromo-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 63994007
2-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63994606
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63995591
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
2-(methylaminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]thiophene-3-sulfonamide
CID 106050570
2-(methylaminomethyl)-N-(3-methylpentan-3-yl)thiophene-3-sulfonamide
CID 114174631
2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106063941) is N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide is CCC(CC1CC1)NS(=O)(=O)c1ccsc1CNC.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is OAXFQKXUSUBYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-3-11(8-10-4-5-10)15-19(16,17)13-6-7-18-12(13)9-14-2/h6-7,10-11,14-15H,3-5,8-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 302.47 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106063941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).