N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide

C17H30N2O2S — CID 170101080

IUPACN-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide
SMILESC=CC1=C(/C=C\C)N(C)CC(N(C)S(=O)(=O)C(C)(C)C)[C@H]1C
InChIInChI=1S/C17H30N2O2S/c1-9-11-15-14(10-2)13(3)16(12-18(15)7)19(8)22(20,21)17(4,5)6/h9-11,13,16H,2,12H2,1,3-8H3/b11-9-/t13-,16?/m0/s1
InChIKeyCCGJCJPTOAKPSJ-BESSDCDMSA-N
MW326.51 g/mol
LogP3.01
Rot. Bonds4

About N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide

N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide (PubChem CID 170101080) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide
PubChem CID170101080
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC NameN-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide
SMILESC=CC1=C(/C=C\C)N(C)CC(N(C)S(=O)(=O)C(C)(C)C)[C@H]1C
InChIInChI=1S/C17H30N2O2S/c1-9-11-15-14(10-2)13(3)16(12-18(15)7)19(8)22(20,21)17(4,5)6/h9-11,13,16H,2,12H2,1,3-8H3/b11-9-/t13-,16?/m0/s1
InChIKeyCCGJCJPTOAKPSJ-BESSDCDMSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide?
The IUPAC name of N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide (CID 170101080) is N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide.
What is the SMILES notation for N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide?
The canonical SMILES for N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide is C=CC1=C(/C=C\C)N(C)CC(N(C)S(=O)(=O)C(C)(C)C)[C@H]1C.
What is the InChIKey of N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide?
The InChIKey is CCGJCJPTOAKPSJ-BESSDCDMSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-9-11-15-14(10-2)13(3)16(12-18(15)7)19(8)22(20,21)17(4,5)6/h9-11,13,16H,2,12H2,1,3-8H3/b11-9-/t13-,16?/m0/s1.
What are the key properties of N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide?
N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide has a molecular weight of 326.51 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-5-ethenyl-1,4-dimethyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyridin-3-yl]-N,2-dimethylpropane-2-sulfonamide is sourced from PubChem (CID 170101080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).