N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

C15H27N3O4S — CID 99997033

IUPACN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cn1C
InChIInChI=1S/C15H27N3O4S/c1-11(2)15-17-14(10-18(15)3)23(20,21)16-7-4-13(19)12-5-8-22-9-6-12/h10-13,16,19H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyJBOMGFQMGPEWRO-ZDUSSCGKSA-N
MW345.47 g/mol
LogP1.00
Rot. Bonds7

About N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide

N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 99997033) has the molecular formula C15H27N3O4S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID99997033
Molecular FormulaC15H27N3O4S
Molecular Weight345.47 g/mol
Exact Mass345.17
IUPAC NameN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cn1C
InChIInChI=1S/C15H27N3O4S/c1-11(2)15-17-14(10-18(15)3)23(20,21)16-7-4-13(19)12-5-8-22-9-6-12/h10-13,16,19H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyJBOMGFQMGPEWRO-ZDUSSCGKSA-N
XLogP1.00
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide (CID 99997033) is N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cn1C.
What is the InChIKey of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is JBOMGFQMGPEWRO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3O4S/c1-11(2)15-17-14(10-18(15)3)23(20,21)16-7-4-13(19)12-5-8-22-9-6-12/h10-13,16,19H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide?
N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 99997033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).