N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride

C7H17ClN2O3S — CID 119960022

IUPACN-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H16N2O3S.ClH/c8-3-4-9-13(10,11)6-7-2-1-5-12-7;/h7,9H,1-6,8H2;1H
InChIKeyKLSDCGZWDRNZRF-UHFFFAOYSA-N
MW244.74 g/mol
LogP-0.53
Rot. Bonds5

About N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride

N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride (PubChem CID 119960022) has the molecular formula C7H17ClN2O3S and a molecular weight of 244.74 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
PubChem CID119960022
Molecular FormulaC7H17ClN2O3S
Molecular Weight244.74 g/mol
Exact Mass244.06
IUPAC NameN-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H16N2O3S.ClH/c8-3-4-9-13(10,11)6-7-2-1-5-12-7;/h7,9H,1-6,8H2;1H
InChIKeyKLSDCGZWDRNZRF-UHFFFAOYSA-N
XLogP-0.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(5-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 114150936
N-(2-azidoethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247487
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
methyl 3-(oxolan-2-ylmethylsulfonylamino)propanoate
CID 62733314
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[2-(ethylamino)ethyl]-1-(oxan-2-yl)methanesulfonamide
CID 119973445

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride (CID 119960022) is N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride is Cl.NCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
The InChIKey is KLSDCGZWDRNZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S.ClH/c8-3-4-9-13(10,11)6-7-2-1-5-12-7;/h7,9H,1-6,8H2;1H.
What are the key properties of N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride?
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride has a molecular weight of 244.74 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119960022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).