4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide

C11H21F3N2O2S — CID 115522833

IUPAC4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-8-16-19(17,18)9-2-1-7-15-10-4-5-10/h10,15-16H,1-9H2
InChIKeyYBZMKGNORCDZFB-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.78
Rot. Bonds10

About 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide (PubChem CID 115522833) has the molecular formula C11H21F3N2O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
PubChem CID115522833
Molecular FormulaC11H21F3N2O2S
Molecular Weight302.36 g/mol
Exact Mass302.13
IUPAC Name4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-8-16-19(17,18)9-2-1-7-15-10-4-5-10/h10,15-16H,1-9H2
InChIKeyYBZMKGNORCDZFB-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
CID 106071753
4-(cyclopropylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]butane-1-sulfonamide
CID 106057650
N'-cyclopropyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115520291
4-(cyclopropylamino)-N-[3-(1H-imidazol-2-yl)propyl]butane-1-sulfonamide
CID 106081694
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-[4-(3,3,3-trifluoropropoxy)butyl]cyclopropanamine
CID 82959515
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide (CID 115522833) is 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)NCCCC(F)(F)F.
What is the InChIKey of 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide?
The InChIKey is YBZMKGNORCDZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2S/c12-11(13,14)6-3-8-16-19(17,18)9-2-1-7-15-10-4-5-10/h10,15-16H,1-9H2.
What are the key properties of 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide is sourced from PubChem (CID 115522833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).