N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide

C9H20N2O4S — CID 106658151

IUPACN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
SMILESCC1(C)OCC(NCCNS(C)(=O)=O)CO1
InChIInChI=1S/C9H20N2O4S/c1-9(2)14-6-8(7-15-9)10-4-5-11-16(3,12)13/h8,10-11H,4-7H2,1-3H3
InChIKeyZCAORLXAKQXRPC-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.72
Rot. Bonds5

About N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide

N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide (PubChem CID 106658151) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
PubChem CID106658151
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide
SMILESCC1(C)OCC(NCCNS(C)(=O)=O)CO1
InChIInChI=1S/C9H20N2O4S/c1-9(2)14-6-8(7-15-9)10-4-5-11-16(3,12)13/h8,10-11H,4-7H2,1-3H3
InChIKeyZCAORLXAKQXRPC-UHFFFAOYSA-N
XLogP-0.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.72
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-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]acetamide
CID 106658128
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]propanoic acid
CID 106658180
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-2-methylpropanamide
CID 106658087
2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
CID 106659028
N-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethyl]methanesulfonamide
CID 43131793
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-N-methylpropanamide
CID 106658723
N-(2-cyclopentylethyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658581
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106658058
2,2-dimethyl-N-(2-thiomorpholin-4-ylethyl)-1,3-dioxan-5-amine
CID 114173755
3-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 106658991
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]phenyl]methanesulfonamide
CID 106658526

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide (CID 106658151) is N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide is CC1(C)OCC(NCCNS(C)(=O)=O)CO1.
What is the InChIKey of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide?
The InChIKey is ZCAORLXAKQXRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-9(2)14-6-8(7-15-9)10-4-5-11-16(3,12)13/h8,10-11H,4-7H2,1-3H3.
What are the key properties of N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide?
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 106658151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).