N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide

C5H13NO3S — CID 87281445

IUPACN-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
SMILESCC(CO)N(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(4-7)6(2)10(3,8)9/h5,7H,4H2,1-3H3
InChIKeyCFLJIPFNTOZEOR-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.74
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide

N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide (PubChem CID 87281445) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
PubChem CID87281445
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
SMILESCC(CO)N(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(4-7)6(2)10(3,8)9/h5,7H,4H2,1-3H3
InChIKeyCFLJIPFNTOZEOR-UHFFFAOYSA-N
XLogP-0.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide (CID 87281445) is N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide is CC(CO)N(C)S(C)(=O)=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide?
The InChIKey is CFLJIPFNTOZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-5(4-7)6(2)10(3,8)9/h5,7H,4H2,1-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide?
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 87281445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).