3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide

C10H18N4O2S — CID 106016093

IUPAC3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O2S/c15-17(16,5-1-4-11-10-2-3-10)14-8-9-6-12-13-7-9/h6-7,10-11,14H,1-5,8H2,(H,12,13)
InChIKeyBLHFBRYHWVQBRO-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.03
Rot. Bonds8

About 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide (PubChem CID 106016093) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
PubChem CID106016093
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCNC1CC1)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O2S/c15-17(16,5-1-4-11-10-2-3-10)14-8-9-6-12-13-7-9/h6-7,10-11,14H,1-5,8H2,(H,12,13)
InChIKeyBLHFBRYHWVQBRO-UHFFFAOYSA-N
XLogP-0.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.03
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

4-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)butane-1-sulfonamide
CID 114137508
3-chloro-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 61003976
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
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
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045
N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 103981696
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
2-[4-(1H-pyrazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126934442
N-cyclopropyl-2-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 61000504

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide (CID 106016093) is 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCNC1CC1)NCc1cn[nH]c1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is BLHFBRYHWVQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c15-17(16,5-1-4-11-10-2-3-10)14-8-9-6-12-13-7-9/h6-7,10-11,14H,1-5,8H2,(H,12,13).
What are the key properties of 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106016093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).