5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine

C14H25N3O2S2 — CID 61300000

IUPAC5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
SMILESCC(C)N(C)CC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)16(3)9-12-4-6-17(7-5-12)21(18,19)14-8-13(15)10-20-14/h8,10-12H,4-7,9,15H2,1-3H3
InChIKeyGMALDVCCHWWPNX-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.07
Rot. Bonds5

About 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine

5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine (PubChem CID 61300000) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine.

Molecular Properties

Compound Name5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
PubChem CID61300000
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine
SMILESCC(C)N(C)CC1CCN(S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C14H25N3O2S2/c1-11(2)16(3)9-12-4-6-17(7-5-12)21(18,19)14-8-13(15)10-20-14/h8,10-12H,4-7,9,15H2,1-3H3
InChIKeyGMALDVCCHWWPNX-UHFFFAOYSA-N
XLogP2.07
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61298628
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61300173
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 61300564
5-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine
CID 61301548
5-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-3-amine
CID 65533222
N-((1-isopropylpiperidin-4-yl)methyl)thiophene-2-sulfonamide
CID 16887511
3-Piperidin-1-ylthiophene-2-sulfonamide
CID 21328002
4-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54953013
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]thiophene-2-sulfonamide
CID 54953918
4-amino-N-(2-ethylcyclohexyl)thiophene-2-sulfonamide
CID 54955424
4-amino-N-(4-ethylcyclohexyl)thiophene-2-sulfonamide
CID 54955575
4-amino-N-[4-(dimethylamino)butan-2-yl]thiophene-2-sulfonamide
CID 54963970

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine?
The IUPAC name of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine (CID 61300000) is 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine.
What is the SMILES notation for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine?
The canonical SMILES for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine is CC(C)N(C)CC1CCN(S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine?
The InChIKey is GMALDVCCHWWPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-11(2)16(3)9-12-4-6-17(7-5-12)21(18,19)14-8-13(15)10-20-14/h8,10-12H,4-7,9,15H2,1-3H3.
What are the key properties of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine?
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine has a molecular weight of 331.51 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]sulfonylthiophen-3-amine is sourced from PubChem (CID 61300000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).