N-propan-2-yloxane-3-sulfonamide

C8H17NO3S — CID 130684869

IUPACN-propan-2-yloxane-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCCOC1
InChIInChI=1S/C8H17NO3S/c1-7(2)9-13(10,11)8-4-3-5-12-6-8/h7-9H,3-6H2,1-2H3
InChIKeySBUCUDNMRWSSLE-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds3

About N-propan-2-yloxane-3-sulfonamide

N-propan-2-yloxane-3-sulfonamide (PubChem CID 130684869) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-propan-2-yloxane-3-sulfonamide.

Molecular Properties

Compound NameN-propan-2-yloxane-3-sulfonamide
PubChem CID130684869
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-propan-2-yloxane-3-sulfonamide
SMILESCC(C)NS(=O)(=O)C1CCCOC1
InChIInChI=1S/C8H17NO3S/c1-7(2)9-13(10,11)8-4-3-5-12-6-8/h7-9H,3-6H2,1-2H3
InChIKeySBUCUDNMRWSSLE-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-propan-2-yloxolane-3-sulfonamide
CID 97175132
N-methyloxane-3-sulfonamide
CID 69039393
N-(1-piperidin-3-ylethyl)oxane-3-sulfonamide
CID 119052630
N-[2-(methylamino)propyl]oxane-3-sulfonamide
CID 120877056
2-(oxan-3-ylsulfonyl)propan-1-amine
CID 107138207
2-methyl-1-(oxan-3-ylsulfonyl)propan-2-amine
CID 107138212
(3S)-oxane-3-sulfonyl fluoride
CID 124710027
N-(3-methylpiperidin-4-yl)oxane-3-sulfonamide
CID 120876535
N-(1-amino-2-methylpropan-2-yl)oxane-3-sulfonamide;hydrochloride
CID 120874902
(2S)-2-[methyl(2,2,2-trifluoroethyl)amino]-N-[(3R)-oxan-3-yl]sulfonylpropanamide
CID 129432314
3-methyl-N-propan-2-ylcyclobutane-1-sulfonamide
CID 164963614
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]oxolane-3-sulfonamide
CID 146090184

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxane-3-sulfonamide?
The IUPAC name of N-propan-2-yloxane-3-sulfonamide (CID 130684869) is N-propan-2-yloxane-3-sulfonamide.
What is the SMILES notation for N-propan-2-yloxane-3-sulfonamide?
The canonical SMILES for N-propan-2-yloxane-3-sulfonamide is CC(C)NS(=O)(=O)C1CCCOC1.
What is the InChIKey of N-propan-2-yloxane-3-sulfonamide?
The InChIKey is SBUCUDNMRWSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)9-13(10,11)8-4-3-5-12-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yloxane-3-sulfonamide?
N-propan-2-yloxane-3-sulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxane-3-sulfonamide is sourced from PubChem (CID 130684869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).