1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol

C14H19N3O3S — CID 107212999

IUPAC1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1
InChIInChI=1S/C14H19N3O3S/c1-9(2)14(18)7-17(8-14)21(19,20)13-6-16-12-5-10(15)3-4-11(12)13/h3-6,9,16,18H,7-8,15H2,1-2H3
InChIKeyMRPOOMPDEFDCKK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.14
Rot. Bonds3

About 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol

1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol (PubChem CID 107212999) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol.

Molecular Properties

Compound Name1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
PubChem CID107212999
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol
SMILESCC(C)C1(O)CN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1
InChIInChI=1S/C14H19N3O3S/c1-9(2)14(18)7-17(8-14)21(19,20)13-6-16-12-5-10(15)3-4-11(12)13/h3-6,9,16,18H,7-8,15H2,1-2H3
InChIKeyMRPOOMPDEFDCKK-UHFFFAOYSA-N
XLogP1.14
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol?
The IUPAC name of 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol (CID 107212999) is 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol.
What is the SMILES notation for 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol?
The canonical SMILES for 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol is CC(C)C1(O)CN(S(=O)(=O)c2c[nH]c3cc(N)ccc23)C1.
What is the InChIKey of 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol?
The InChIKey is MRPOOMPDEFDCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)14(18)7-17(8-14)21(19,20)13-6-16-12-5-10(15)3-4-11(12)13/h3-6,9,16,18H,7-8,15H2,1-2H3.
What are the key properties of 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol?
1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol has a molecular weight of 309.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-1H-indol-3-yl)sulfonyl]-3-propan-2-ylazetidin-3-ol is sourced from PubChem (CID 107212999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).