N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide

C10H23NO2S — CID 129190238

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide
SMILESCCCN([C@H](C)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-7-8-11(14(6,12)13)9(2)10(3,4)5/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyVUHHHGAMDRTXAH-SECBINFHSA-N
MW221.37 g/mol
LogP2.09
Rot. Bonds4

About N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide

N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide (PubChem CID 129190238) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide
PubChem CID129190238
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide
SMILESCCCN([C@H](C)C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-7-8-11(14(6,12)13)9(2)10(3,4)5/h9H,7-8H2,1-6H3/t9-/m1/s1
InChIKeyVUHHHGAMDRTXAH-SECBINFHSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide (CID 129190238) is N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide is CCCN([C@H](C)C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide?
The InChIKey is VUHHHGAMDRTXAH-SECBINFHSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-7-8-11(14(6,12)13)9(2)10(3,4)5/h9H,7-8H2,1-6H3/t9-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide is sourced from PubChem (CID 129190238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).