N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide

C17H29N3O3S — CID 100761656

IUPACN-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCCN(CC)CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)N(C)CC2
InChIInChI=1S/C17H29N3O3S/c1-4-20(5-2)11-9-15(13-21)18-24(22,23)16-7-6-14-8-10-19(3)17(14)12-16/h6-7,12,15,18,21H,4-5,8-11,13H2,1-3H3/t15-/m1/s1
InChIKeyAUPRVKYMKWYEOB-OAHLLOKOSA-N
MW355.50 g/mol
LogP1.05
Rot. Bonds9

About N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide

N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 100761656) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID100761656
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCCN(CC)CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)N(C)CC2
InChIInChI=1S/C17H29N3O3S/c1-4-20(5-2)11-9-15(13-21)18-24(22,23)16-7-6-14-8-10-19(3)17(14)12-16/h6-7,12,15,18,21H,4-5,8-11,13H2,1-3H3/t15-/m1/s1
InChIKeyAUPRVKYMKWYEOB-OAHLLOKOSA-N
XLogP1.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide (CID 100761656) is N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide is CCN(CC)CC[C@H](CO)NS(=O)(=O)c1ccc2c(c1)N(C)CC2.
What is the InChIKey of N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is AUPRVKYMKWYEOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-4-20(5-2)11-9-15(13-21)18-24(22,23)16-7-6-14-8-10-19(3)17(14)12-16/h6-7,12,15,18,21H,4-5,8-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide?
N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 355.50 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(diethylamino)-1-hydroxybutan-2-yl]-1-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 100761656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).