4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide

C14H28N2O3S — CID 106075175

IUPAC4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CCCCNC2CC2)CCO1
InChIInChI=1S/C14H28N2O3S/c1-14(2)11-13(7-9-19-14)16-20(17,18)10-4-3-8-15-12-5-6-12/h12-13,15-16H,3-11H2,1-2H3
InChIKeyFCTGYWIJUZALCF-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.40
Rot. Bonds8

About 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide (PubChem CID 106075175) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
PubChem CID106075175
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)CCCCNC2CC2)CCO1
InChIInChI=1S/C14H28N2O3S/c1-14(2)11-13(7-9-19-14)16-20(17,18)10-4-3-8-15-12-5-6-12/h12-13,15-16H,3-11H2,1-2H3
InChIKeyFCTGYWIJUZALCF-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.40
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

N-(3-ethylsulfonylpropyl)-2,2-dimethyloxan-4-amine
CID 83033238
2-[(2,2-dimethyloxan-4-yl)amino]-N-methylethanesulfonamide
CID 106333827
N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106075642
N-hept-6-enyl-2,2-dimethyloxan-4-amine
CID 107007059
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-(2-methylcyclopentyl)butane-1-sulfonamide
CID 106064397
1-[4-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
CID 83036036
N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 83028887
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
CID 83027734
N-(3,3-dimethylcyclopentyl)-4-(ethylamino)butane-1-sulfonamide
CID 114552211
4-(cyclopropylamino)-N-(2,3-dimethylcyclohexyl)butane-1-sulfonamide
CID 106060306

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide (CID 106075175) is 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide is CC1(C)CC(NS(=O)(=O)CCCCNC2CC2)CCO1.
What is the InChIKey of 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide?
The InChIKey is FCTGYWIJUZALCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-14(2)11-13(7-9-19-14)16-20(17,18)10-4-3-8-15-12-5-6-12/h12-13,15-16H,3-11H2,1-2H3.
What are the key properties of 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(2,2-dimethyloxan-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 106075175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).