N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride

C8H19ClN2O3S — CID 119972933

IUPACN-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)CC1CCCO1.Cl
InChIInChI=1S/C8H18N2O3S.ClH/c1-9-4-5-10-14(11,12)7-8-3-2-6-13-8;/h8-10H,2-7H2,1H3;1H
InChIKeyGGYCSIMMQLCBGZ-UHFFFAOYSA-N
MW258.77 g/mol
LogP-0.27
Rot. Bonds6

About N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride

N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride (PubChem CID 119972933) has the molecular formula C8H19ClN2O3S and a molecular weight of 258.77 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
PubChem CID119972933
Molecular FormulaC8H19ClN2O3S
Molecular Weight258.77 g/mol
Exact Mass258.08
IUPAC NameN-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)CC1CCCO1.Cl
InChIInChI=1S/C8H18N2O3S.ClH/c1-9-4-5-10-14(11,12)7-8-3-2-6-13-8;/h8-10H,2-7H2,1H3;1H
InChIKeyGGYCSIMMQLCBGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 5-0.27
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-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323
N-[2-methyl-3-(methylamino)propyl]-1-(oxan-2-yl)methanesulfonamide
CID 119042774
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride (CID 119972933) is N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride is CNCCNS(=O)(=O)CC1CCCO1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The InChIKey is GGYCSIMMQLCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S.ClH/c1-9-4-5-10-14(11,12)7-8-3-2-6-13-8;/h8-10H,2-7H2,1H3;1H.
What are the key properties of N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119972933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).