1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride

C10H21ClN2O3S — CID 119974117

IUPAC1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCO1)NCC1CCCN1
InChIInChI=1S/C10H20N2O3S.ClH/c13-16(14,8-10-4-2-6-15-10)12-7-9-3-1-5-11-9;/h9-12H,1-8H2;1H
InChIKeyLXRIFLDGTLZSIR-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.26
Rot. Bonds5

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

1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride (PubChem CID 119974117) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
PubChem CID119974117
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCO1)NCC1CCCN1
InChIInChI=1S/C10H20N2O3S.ClH/c13-16(14,8-10-4-2-6-15-10)12-7-9-3-1-5-11-9;/h9-12H,1-8H2;1H
InChIKeyLXRIFLDGTLZSIR-UHFFFAOYSA-N
XLogP0.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[(3-aminocyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114146773
N-cyclopropyl-1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106599566
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride (CID 119974117) is 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CCCO1)NCC1CCCN1.
What is the InChIKey of 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
The InChIKey is LXRIFLDGTLZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c13-16(14,8-10-4-2-6-15-10)12-7-9-3-1-5-11-9;/h9-12H,1-8H2;1H.
What are the key properties of 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride?
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119974117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).