N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide

C10H22N2O3S — CID 106335406

IUPACN,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCC1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-12(2)16(13,14)8-5-11-9-10-3-6-15-7-4-10/h10-11H,3-9H2,1-2H3
InChIKeyKPNNDYNODOGELW-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.11
Rot. Bonds6

About N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide

N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide (PubChem CID 106335406) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide
PubChem CID106335406
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNCC1CCOCC1
InChIInChI=1S/C10H22N2O3S/c1-12(2)16(13,14)8-5-11-9-10-3-6-15-7-4-10/h10-11H,3-9H2,1-2H3
InChIKeyKPNNDYNODOGELW-UHFFFAOYSA-N
XLogP-0.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N,N-dimethylethanesulfonamide
CID 106335897
N,N-dimethyl-4-[(oxan-4-ylmethylamino)methyl]benzenesulfonamide
CID 119153369
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
3-ethylsulfonyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65092724
N'-butan-2-yl-N'-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 115685568
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
CID 63708065
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
2-(but-3-enylamino)-N,N-dimethylethanesulfonamide
CID 140863709
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
5-methoxy-N-(oxan-4-ylmethyl)pentan-1-amine
CID 115685550
N'-(oxan-4-ylmethyl)methanediamine
CID 115225805

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide (CID 106335406) is N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide is CN(C)S(=O)(=O)CCNCC1CCOCC1.
What is the InChIKey of N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide?
The InChIKey is KPNNDYNODOGELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-12(2)16(13,14)8-5-11-9-10-3-6-15-7-4-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide?
N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide has a molecular weight of 250.36 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(oxan-4-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 106335406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).