4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide

C12H24N2O4S — CID 106016751

IUPAC4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCC1COCCO1
InChIInChI=1S/C12H24N2O4S/c15-19(16,8-2-1-5-13-11-3-4-11)14-9-12-10-17-6-7-18-12/h11-14H,1-10H2
InChIKeyIFRZKIASJDVWBW-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.15
Rot. Bonds9

About 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide (PubChem CID 106016751) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide
PubChem CID106016751
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCNC1CC1)NCC1COCCO1
InChIInChI=1S/C12H24N2O4S/c15-19(16,8-2-1-5-13-11-3-4-11)14-9-12-10-17-6-7-18-12/h11-14H,1-10H2
InChIKeyIFRZKIASJDVWBW-UHFFFAOYSA-N
XLogP-0.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)ethanesulfonamide
CID 61063379
4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
CID 106071753
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
5-[(cyclopropylamino)methyl]-N-(1,4-dioxan-2-ylmethyl)thiophene-3-sulfonamide
CID 106016674
N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide
CID 61356040
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
4-(cyclopropylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butane-1-sulfonamide
CID 79238581
N-(1,4-dioxan-2-ylmethyl)-2-methylsulfonylethanamine
CID 61023583
1-[4-(aminomethyl)phenyl]-N-(1,4-dioxan-2-ylmethyl)methanesulfonamide
CID 61023167

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide (CID 106016751) is 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide is O=S(=O)(CCCCNC1CC1)NCC1COCCO1.
What is the InChIKey of 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is IFRZKIASJDVWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c15-19(16,8-2-1-5-13-11-3-4-11)14-9-12-10-17-6-7-18-12/h11-14H,1-10H2.
What are the key properties of 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of -0.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(1,4-dioxan-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 106016751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).