N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide

C12H23NO3S — CID 86780932

IUPACN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide
SMILESCC1OCCC1S(=O)C(C)C(=O)N(C)C(C)C
InChIInChI=1S/C12H23NO3S/c1-8(2)13(5)12(14)10(4)17(15)11-6-7-16-9(11)3/h8-11H,6-7H2,1-5H3
InChIKeyOMIFODNRPZJKHM-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.17
Rot. Bonds4

About N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide

N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide (PubChem CID 86780932) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide
PubChem CID86780932
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide
SMILESCC1OCCC1S(=O)C(C)C(=O)N(C)C(C)C
InChIInChI=1S/C12H23NO3S/c1-8(2)13(5)12(14)10(4)17(15)11-6-7-16-9(11)3/h8-11H,6-7H2,1-5H3
InChIKeyOMIFODNRPZJKHM-UHFFFAOYSA-N
XLogP1.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 75469694
CID 75469694
CID 84589445
CID 84589445
CID 86780929
CID 86780929
CID 97326444
CID 97326444
CID 97326446
CID 97326446
CID 97605847
CID 97605847
CID 97605848
CID 97605848
CID 97605849
CID 97605849
CID 97605850
CID 97605850
CID 97856428
CID 97856428
CID 99819319
CID 99819319
CID 99819320
CID 99819320

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide?
The IUPAC name of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide (CID 86780932) is N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide is CC1OCCC1S(=O)C(C)C(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide?
The InChIKey is OMIFODNRPZJKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-8(2)13(5)12(14)10(4)17(15)11-6-7-16-9(11)3/h8-11H,6-7H2,1-5H3.
What are the key properties of N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide?
N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide has a molecular weight of 261.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyloxolan-3-yl)sulfinyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 86780932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).