(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide

C9H17NO3S — CID 97177286

IUPAC(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
SMILESC[C@H]1COCC[C@H]1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H17NO3S/c1-7-6-13-5-4-9(7)14(11,12)10-8-2-3-8/h7-10H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyWFGUJQHSNGSKKN-IONNQARKSA-N
MW219.31 g/mol
LogP0.49
Rot. Bonds3

About (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide

(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide (PubChem CID 97177286) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
PubChem CID97177286
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide
SMILESC[C@H]1COCC[C@H]1S(=O)(=O)NC1CC1
InChIInChI=1S/C9H17NO3S/c1-7-6-13-5-4-9(7)14(11,12)10-8-2-3-8/h7-10H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyWFGUJQHSNGSKKN-IONNQARKSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-N,3-dimethyloxane-4-sulfonamide
CID 97167965
(3S,4S)-3-methyloxane-4-sulfonyl chloride
CID 98084898
(3S,4R)-3-methyloxane-4-sulfonamide
CID 97177290
(3S,4R)-N,N,3-trimethyloxane-4-sulfonamide
CID 97177278
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166603
(3S,4S)-3-[(4-chlorophenyl)methyl]-N-cyclopropyloxane-4-sulfonamide
CID 97166602
N,4-dimethyloxolane-3-sulfonamide
CID 165442955
N-[[4-(ethylsulfonylamino)phenyl]methyl]-3-methyloxane-4-sulfonamide
CID 167927926
(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
CID 97166599
N-cyclopropyl-3-[(3-fluorophenyl)methyl]oxane-4-sulfonamide
CID 71648912
N-(oxolan-3-yl)pyrrolidine-3-sulfonamide
CID 80714879
3-methyl-1-(3-methyloxan-4-yl)but-3-en-1-one
CID 130491993

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide?
The IUPAC name of (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide (CID 97177286) is (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide.
What is the SMILES notation for (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide?
The canonical SMILES for (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide is C[C@H]1COCC[C@H]1S(=O)(=O)NC1CC1.
What is the InChIKey of (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide?
The InChIKey is WFGUJQHSNGSKKN-IONNQARKSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-7-6-13-5-4-9(7)14(11,12)10-8-2-3-8/h7-10H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide?
(3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide has a molecular weight of 219.31 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 (3S,4R)-N-cyclopropyl-3-methyloxane-4-sulfonamide is sourced from PubChem (CID 97177286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).