4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide

C11H21N3O2S2 — CID 114132852

IUPAC4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H21N3O2S2/c1-4-9(2)14(3)6-5-13-18(15,16)11-7-10(12)8-17-11/h7-9,13H,4-6,12H2,1-3H3
InChIKeyFWNONVYHACKFPM-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.34
Rot. Bonds7

About 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide

4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide (PubChem CID 114132852) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
PubChem CID114132852
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
SMILESCCC(C)N(C)CCNS(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H21N3O2S2/c1-4-9(2)14(3)6-5-13-18(15,16)11-7-10(12)8-17-11/h7-9,13H,4-6,12H2,1-3H3
InChIKeyFWNONVYHACKFPM-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106094307
4-amino-N-[2-(dimethylamino)propyl]thiophene-2-sulfonamide
CID 61300006
4-amino-N-[2-(methanesulfonamido)ethyl]thiophene-2-sulfonamide
CID 61299780
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106014187
4-amino-N-(2-methoxyethyl)thiophene-2-sulfonamide
CID 61301299
4-amino-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 63226058
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106014193
4-amino-N-(2-butoxyethyl)thiophene-2-sulfonamide
CID 61301356
N-[2-[butan-2-yl(methyl)amino]ethyl]-5-(hydroxymethyl)-2-methylthiophene-3-sulfonamide
CID 106014191
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
CID 106095139

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide (CID 114132852) is 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide is CCC(C)N(C)CCNS(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide?
The InChIKey is FWNONVYHACKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-4-9(2)14(3)6-5-13-18(15,16)11-7-10(12)8-17-11/h7-9,13H,4-6,12H2,1-3H3.
What are the key properties of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide?
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide has a molecular weight of 291.44 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 114132852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).