1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide

C13H24N4O2S2 — CID 106071539

IUPAC1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NCC2CCCS2)cn1
InChIInChI=1S/C13H24N4O2S2/c1-2-14-6-4-7-17-11-13(10-15-17)21(18,19)16-9-12-5-3-8-20-12/h10-12,14,16H,2-9H2,1H3
InChIKeyDCBCQPAIDYTFPU-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.06
Rot. Bonds9

About 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide

1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106071539) has the molecular formula C13H24N4O2S2 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106071539
Molecular FormulaC13H24N4O2S2
Molecular Weight332.50 g/mol
Exact Mass332.13
IUPAC Name1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NCC2CCCS2)cn1
InChIInChI=1S/C13H24N4O2S2/c1-2-14-6-4-7-17-11-13(10-15-17)21(18,19)16-9-12-5-3-8-20-12/h10-12,14,16H,2-9H2,1H3
InChIKeyDCBCQPAIDYTFPU-UHFFFAOYSA-N
XLogP1.06
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-[2-(ethylamino)ethyl]-N-(oxan-3-ylmethyl)pyrazole-4-sulfonamide
CID 106016439
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide
CID 106078488
1-[2-(ethylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084347
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292
1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106094798
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide (CID 106071539) is 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide is CCNCCCn1cc(S(=O)(=O)NCC2CCCS2)cn1.
What is the InChIKey of 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is DCBCQPAIDYTFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S2/c1-2-14-6-4-7-17-11-13(10-15-17)21(18,19)16-9-12-5-3-8-20-12/h10-12,14,16H,2-9H2,1H3.
What are the key properties of 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide?
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 332.50 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106071539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).