4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide

C12H23N3O2S2 — CID 106095139

IUPAC4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C12H23N3O2S2/c1-10(2)15(3)6-4-5-14-19(16,17)12-7-11(8-13)9-18-12/h7,9-10,14H,4-6,8,13H2,1-3H3
InChIKeyYPJQRUYUMIKECZ-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.22
Rot. Bonds8

About 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide

4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide (PubChem CID 106095139) has the molecular formula C12H23N3O2S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
PubChem CID106095139
Molecular FormulaC12H23N3O2S2
Molecular Weight305.47 g/mol
Exact Mass305.12
IUPAC Name4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cc(CN)cs1
InChIInChI=1S/C12H23N3O2S2/c1-10(2)15(3)6-4-5-14-19(16,17)12-7-11(8-13)9-18-12/h7,9-10,14H,4-6,8,13H2,1-3H3
InChIKeyYPJQRUYUMIKECZ-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(propylaminomethyl)thiophene-2-sulfonamide
CID 106055654
N-[3-(dimethylamino)propyl]-4-(hydroxymethyl)thiophene-2-sulfonamide
CID 114133354
N-[4-(dimethylamino)butyl]-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106051706
4-(aminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 106064908
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-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
CID 106079826
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]thiophene-2-sulfonamide
CID 114132852
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-5-sulfonamide
CID 106033856
4-(aminomethyl)-N-(4-methoxybutan-2-yl)thiophene-2-sulfonamide
CID 106067638
4-(aminomethyl)-N-(4-imidazol-1-ylbutyl)thiophene-2-sulfonamide
CID 106054450
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide (CID 106095139) is 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1cc(CN)cs1.
What is the InChIKey of 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide?
The InChIKey is YPJQRUYUMIKECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S2/c1-10(2)15(3)6-4-5-14-19(16,17)12-7-11(8-13)9-18-12/h7,9-10,14H,4-6,8,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide?
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide has a molecular weight of 305.47 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106095139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).