N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide

C8H18N2O2S2 — CID 50981715

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

About N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide

N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide (PubChem CID 50981715) has the molecular formula C8H18N2O2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide
PubChem CID50981715
Molecular FormulaC8H18N2O2S2
Molecular Weight238.38 g/mol
Exact Mass238.08
IUPAC NameN,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNC1CCSC1
InChIInChI=1S/C8H18N2O2S2/c1-10(2)14(11,12)6-4-9-8-3-5-13-7-8/h8-9H,3-7H2,1-2H3
InChIKeyUIMWBWISXGRKJF-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,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide (CID 50981715) is N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide is CN(C)S(=O)(=O)CCNC1CCSC1.
What is the InChIKey of N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide?
The InChIKey is UIMWBWISXGRKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S2/c1-10(2)14(11,12)6-4-9-8-3-5-13-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide?
N,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide 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,N-dimethyl-2-(thiolan-3-ylamino)ethanesulfonamide is sourced from PubChem (CID 50981715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).