2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide

C11H20N4O2S — CID 106073619

IUPAC2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCn1cc(CCNS(=O)(=O)CCNC2CC2)cn1
InChIInChI=1S/C11H20N4O2S/c1-15-9-10(8-13-15)4-5-14-18(16,17)7-6-12-11-2-3-11/h8-9,11-12,14H,2-7H2,1H3
InChIKeyCQGLKJVNGYYMKK-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.37
Rot. Bonds8

About 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide

2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide (PubChem CID 106073619) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
PubChem CID106073619
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
SMILESCn1cc(CCNS(=O)(=O)CCNC2CC2)cn1
InChIInChI=1S/C11H20N4O2S/c1-15-9-10(8-13-15)4-5-14-18(16,17)7-6-12-11-2-3-11/h8-9,11-12,14H,2-7H2,1H3
InChIKeyCQGLKJVNGYYMKK-UHFFFAOYSA-N
XLogP-0.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
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
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
N-[2-(1-methylpyrazol-4-yl)ethyl]oxetan-3-amine
CID 80683078
N-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 80682977
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
N-[4-methyl-6-(1-methylpyrazol-4-yl)hex-3-enyl]cyclopropanamine
CID 103019344

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide (CID 106073619) is 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide is Cn1cc(CCNS(=O)(=O)CCNC2CC2)cn1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide?
The InChIKey is CQGLKJVNGYYMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-9-10(8-13-15)4-5-14-18(16,17)7-6-12-11-2-3-11/h8-9,11-12,14H,2-7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide?
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of -0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 106073619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).