N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide

C9H20N2O2S2 — CID 63859971

IUPACN-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCSC1)NS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S2/c1-9(2,11-15(3,12)13)7-10-8-4-5-14-6-8/h8,10-11H,4-7H2,1-3H3
InChIKeyRYTLXVXTHOEXDM-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.41
Rot. Bonds5

About N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 63859971) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
PubChem CID63859971
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC NameN-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCSC1)NS(C)(=O)=O
InChIInChI=1S/C9H20N2O2S2/c1-9(2,11-15(3,12)13)7-10-8-4-5-14-6-8/h8,10-11H,4-7H2,1-3H3
InChIKeyRYTLXVXTHOEXDM-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide (CID 63859971) is N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide is CC(C)(CNC1CCSC1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is RYTLXVXTHOEXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-9(2,11-15(3,12)13)7-10-8-4-5-14-6-8/h8,10-11H,4-7H2,1-3H3.
What are the key properties of N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 252.40 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).