4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide

C15H24N2O3S — CID 106003237

IUPAC4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-20-12-13-6-2-3-7-15(13)17-21(18,19)11-5-4-10-16-14-8-9-14/h2-3,6-7,14,16-17H,4-5,8-12H2,1H3
InChIKeySYZXOHDEOOUXFB-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.11
Rot. Bonds10

About 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide

4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide (PubChem CID 106003237) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
PubChem CID106003237
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C15H24N2O3S/c1-20-12-13-6-2-3-7-15(13)17-21(18,19)11-5-4-10-16-14-8-9-14/h2-3,6-7,14,16-17H,4-5,8-12H2,1H3
InChIKeySYZXOHDEOOUXFB-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-(2-ethylphenyl)propane-1-sulfonamide
CID 107591687
N-[2-(methoxymethyl)phenyl]-4-(propylamino)butane-1-sulfonamide
CID 106003226
N-[2-(methoxymethyl)phenyl]-3-(methylamino)propane-1-sulfonamide
CID 106003223
N-(2-bromophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106061301
4-(cyclopropylamino)-N-[2-(dimethylamino)phenyl]butane-1-sulfonamide
CID 106005891
2-(ethylamino)-N-[2-(methoxymethyl)phenyl]ethanesulfonamide
CID 54972159
1-chloro-N-[2-(methoxymethyl)phenyl]methanesulfonamide
CID 63664132
N-[2-(2-methoxyethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106087001
4-(cyclopropylamino)-N-(2,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 106071188
3-(cyclopropylamino)-N-(2,3-dichlorophenyl)propane-1-sulfonamide
CID 106030688
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide (CID 106003237) is 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide is COCc1ccccc1NS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide?
The InChIKey is SYZXOHDEOOUXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-20-12-13-6-2-3-7-15(13)17-21(18,19)11-5-4-10-16-14-8-9-14/h2-3,6-7,14,16-17H,4-5,8-12H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide?
4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[2-(methoxymethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 106003237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).