(R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide

C19H37NO5S — CID 71566933

IUPAC(R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide
SMILESCC1(CCC[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C2(C)OCCO2)OCCO1
InChIInChI=1S/C19H37NO5S/c1-16(2,3)26(21)20-15(9-8-10-18(6)22-11-12-23-18)17(4,5)19(7)24-13-14-25-19/h15,20H,8-14H2,1-7H3/t15-,26-/m1/s1
InChIKeyLSSCJTVCAKSDNO-PVPMGCCUSA-N
MW391.57 g/mol
LogP3.13
Rot. Bonds8

About (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide

(R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide (PubChem CID 71566933) has the molecular formula C19H37NO5S and a molecular weight of 391.57 g/mol. Its IUPAC name is (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide
PubChem CID71566933
Molecular FormulaC19H37NO5S
Molecular Weight391.57 g/mol
Exact Mass391.24
IUPAC Name(R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide
SMILESCC1(CCC[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C2(C)OCCO2)OCCO1
InChIInChI=1S/C19H37NO5S/c1-16(2,3)26(21)20-15(9-8-10-18(6)22-11-12-23-18)17(4,5)19(7)24-13-14-25-19/h15,20H,8-14H2,1-7H3/t15-,26-/m1/s1
InChIKeyLSSCJTVCAKSDNO-PVPMGCCUSA-N
XLogP3.13
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
2-ethyl-2,5-dimethyl-8-(2-methyl-1,3-dioxolan-2-yl)octanoic acid
CID 70994716
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
CID 10965102
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
2-methyl-2-(3-methylpentyl)-1,3-dioxolane
CID 13315713
5-(2-methyl-1,3-dioxolan-2-yl)pentan-2-one;2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)butanal
CID 161106627
[(4S)-4-[[(R)-tert-butylsulfinyl]amino]-5-methyl-5-(oxan-4-yl)hexyl] 4-methylbenzenesulfonate
CID 178086937
(S)-N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 164945575
N-[(1R)-1-[3-ethoxy-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 163283839

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide (CID 71566933) is (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide is CC1(CCC[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C2(C)OCCO2)OCCO1.
What is the InChIKey of (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide?
The InChIKey is LSSCJTVCAKSDNO-PVPMGCCUSA-N. The full InChI is InChI=1S/C19H37NO5S/c1-16(2,3)26(21)20-15(9-8-10-18(6)22-11-12-23-18)17(4,5)19(7)24-13-14-25-19/h15,20H,8-14H2,1-7H3/t15-,26-/m1/s1.
What are the key properties of (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide?
(R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide has a molecular weight of 391.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-[(3R)-2-methyl-2,6-bis(2-methyl-1,3-dioxolan-2-yl)hexan-3-yl]propane-2-sulfinamide is sourced from PubChem (CID 71566933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).