3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide

C12H22N4O2S — CID 106073650

IUPAC3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)CCCNC2CC2)cn1
InChIInChI=1S/C12H22N4O2S/c1-16-10-11(9-14-16)5-7-15-19(17,18)8-2-6-13-12-3-4-12/h9-10,12-13,15H,2-8H2,1H3
InChIKeyMSXXKKVBAXGVEM-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.02
Rot. Bonds9

About 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide

3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 106073650) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
PubChem CID106073650
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)CCCNC2CC2)cn1
InChIInChI=1S/C12H22N4O2S/c1-16-10-11(9-14-16)5-7-15-19(17,18)8-2-6-13-12-3-4-12/h9-10,12-13,15H,2-8H2,1H3
InChIKeyMSXXKKVBAXGVEM-UHFFFAOYSA-N
XLogP0.02
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.02
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

2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 114135274
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
3-(cyclopropylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1-sulfonamide
CID 106017944
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 106016093
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide (CID 106073650) is 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide is Cn1cc(CCNS(=O)(=O)CCCNC2CC2)cn1.
What is the InChIKey of 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is MSXXKKVBAXGVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16-10-11(9-14-16)5-7-15-19(17,18)8-2-6-13-12-3-4-12/h9-10,12-13,15H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide?
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 106073650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).