4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide

C11H20N4O2S — CID 114137508

IUPAC4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCc1cn[nH]c1
InChIInChI=1S/C11H20N4O2S/c16-18(17,15-9-10-7-13-14-8-10)6-2-1-5-12-11-3-4-11/h7-8,11-12,15H,1-6,9H2,(H,13,14)
InChIKeyBEWXSZKVKSEPTD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.36
Rot. Bonds9

About 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide (PubChem CID 114137508) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
PubChem CID114137508
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCc1cn[nH]c1
InChIInChI=1S/C11H20N4O2S/c16-18(17,15-9-10-7-13-14-8-10)6-2-1-5-12-11-3-4-11/h7-8,11-12,15H,1-6,9H2,(H,13,14)
InChIKeyBEWXSZKVKSEPTD-UHFFFAOYSA-N
XLogP0.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 106016093
3-chloro-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 61003976
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
3-(cyclopropylamino)-N-(1,2-oxazol-3-ylmethyl)propane-1-sulfonamide
CID 81174320
3-(cyclopropylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propane-1-sulfonamide
CID 106378118
4-(cyclopropylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butane-1-sulfonamide
CID 106410697
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
CID 106081694
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide (CID 114137508) is 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)NCc1cn[nH]c1.
What is the InChIKey of 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
The InChIKey is BEWXSZKVKSEPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c16-18(17,15-9-10-7-13-14-8-10)6-2-1-5-12-11-3-4-11/h7-8,11-12,15H,1-6,9H2,(H,13,14).
What are the key properties of 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 114137508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).