N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide

C8H18N2O2S2 — CID 50982023

IUPACN-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide
SMILESCN(CCNC1CCSC1)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S2/c1-10(14(2,11)12)5-4-9-8-3-6-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyVORZKBNPKWLWFF-UHFFFAOYSA-N
MW238.38 g/mol
LogP-0.03
Rot. Bonds5

About N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide

N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide (PubChem CID 50982023) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide
PubChem CID50982023
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC NameN-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide
SMILESCN(CCNC1CCSC1)S(C)(=O)=O
InChIInChI=1S/C8H18N2O2S2/c1-10(14(2,11)12)5-4-9-8-3-6-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyVORZKBNPKWLWFF-UHFFFAOYSA-N
XLogP-0.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide (CID 50982023) is N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide is CN(CCNC1CCSC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide?
The InChIKey is VORZKBNPKWLWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-10(14(2,11)12)5-4-9-8-3-6-13-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide?
N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide has a molecular weight of 238.38 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(thiolan-3-ylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 50982023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).