4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide

C16H22N2O4S — CID 129396178

IUPAC4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
SMILESCC(C)NC[C@H](O)COc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C16H22N2O4S/c1-11(2)18-9-12(19)10-22-15-7-8-16(23(17,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,18-19H,9-10H2,1-2H3,(H2,17,20,21)/t12-/m0/s1
InChIKeyLIBPUQWWDYXCIJ-LBPRGKRZSA-N
MW338.43 g/mol
LogP1.22
Rot. Bonds7

About 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide

4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide (PubChem CID 129396178) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
PubChem CID129396178
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
SMILESCC(C)NC[C@H](O)COc1ccc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C16H22N2O4S/c1-11(2)18-9-12(19)10-22-15-7-8-16(23(17,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,18-19H,9-10H2,1-2H3,(H2,17,20,21)/t12-/m0/s1
InChIKeyLIBPUQWWDYXCIJ-LBPRGKRZSA-N
XLogP1.22
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
4-(3-methylbutoxy)naphthalene-1-sulfonamide
CID 43164550
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-(5-methyl-2-methylsulfonylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 70614510
4-butoxynaphthalene-1-sulfonamide
CID 43342503
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide?
The IUPAC name of 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide (CID 129396178) is 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide?
The canonical SMILES for 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide is CC(C)NC[C@H](O)COc1ccc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide?
The InChIKey is LIBPUQWWDYXCIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11(2)18-9-12(19)10-22-15-7-8-16(23(17,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,18-19H,9-10H2,1-2H3,(H2,17,20,21)/t12-/m0/s1.
What are the key properties of 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide?
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide is sourced from PubChem (CID 129396178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).