N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C13H25N3O2S2 — CID 106017154

IUPACN-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCC(C)N(C)C)cs1
InChIInChI=1S/C13H25N3O2S2/c1-10(2)14-8-12-6-13(9-19-12)20(17,18)15-7-11(3)16(4)5/h6,9-11,14-15H,7-8H2,1-5H3
InChIKeyWNHIJGDTTYEERS-UHFFFAOYSA-N
MW319.50 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106017154) has the molecular formula C13H25N3O2S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106017154
Molecular FormulaC13H25N3O2S2
Molecular Weight319.50 g/mol
Exact Mass319.14
IUPAC NameN-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCC(C)N(C)C)cs1
InChIInChI=1S/C13H25N3O2S2/c1-10(2)14-8-12-6-13(9-19-12)20(17,18)15-7-11(3)16(4)5/h6,9-11,14-15H,7-8H2,1-5H3
InChIKeyWNHIJGDTTYEERS-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106055579
N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 114141304
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
N-(2-butoxyethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106017515
N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106028371
N-(1-methylsulfanylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106079565
5-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084327
5-[(propan-2-ylamino)methyl]-N-(pyrimidin-4-ylmethyl)thiophene-3-sulfonamide
CID 106092523
N-(2-imidazol-1-ylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106018036
5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055603
5-(methylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-3-sulfonamide
CID 114141371
5-(ethylaminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-3-sulfonamide
CID 106095124

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106017154) is N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)NCC(C)N(C)C)cs1.
What is the InChIKey of N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is WNHIJGDTTYEERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S2/c1-10(2)14-8-12-6-13(9-19-12)20(17,18)15-7-11(3)16(4)5/h6,9-11,14-15H,7-8H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 319.50 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106017154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).