5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide

C17H25N5O2S2 — CID 68948115

About 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 68948115) has the molecular formula C17H25N5O2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide
• PubChem CID: 68948115
• Molecular Formula: C17H25N5O2S2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.14
• IUPAC Name: 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide
• SMILES: C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1nnc(N)s1
• InChI: InChI=1S/C17H25N5O2S2/c1-12(10-13-6-2-3-7-13)19-11-14-8-4-5-9-15(14)22-26(23,24)17-21-20-16(18)25-17/h4-5,8-9,12-13,19,22H,2-3,6-7,10-11H2,1H3,(H2,18,20)/t12-/m0/s1
• InChIKey: JPFYLTHZFMDDND-LBPRGKRZSA-N
• XLogP: 2.98
• TPSA: 110.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide?

The IUPAC name of 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide (CID 68948115) is 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide.

What is the SMILES notation for 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide?

The canonical SMILES for 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide is C[C@@H](CC1CCCC1)NCc1ccccc1NS(=O)(=O)c1nnc(N)s1.

What is the InChIKey of 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide?

The InChIKey is JPFYLTHZFMDDND-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N5O2S2/c1-12(10-13-6-2-3-7-13)19-11-14-8-4-5-9-15(14)22-26(23,24)17-21-20-16(18)25-17/h4-5,8-9,12-13,19,22H,2-3,6-7,10-11H2,1H3,(H2,18,20)/t12-/m0/s1.

What are the key properties of 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide?

5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 395.55 g/mol, XLogP of 2.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[[[(2S)-1-cyclopentylpropan-2-yl]amino]methyl]phenyl]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 68948115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).