1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide

C12H27N3O3S — CID 68822827

IUPAC1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
SMILESCOCC(CN)S(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H27N3O3S/c1-10(2)15-6-4-11(5-7-15)14-19(16,17)12(8-13)9-18-3/h10-12,14H,4-9,13H2,1-3H3
InChIKeyQFHFGJXMVLJJFI-UHFFFAOYSA-N
MW293.43 g/mol
LogP-0.25
Rot. Bonds7

About 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide

1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide (PubChem CID 68822827) has the molecular formula C12H27N3O3S and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
PubChem CID68822827
Molecular FormulaC12H27N3O3S
Molecular Weight293.43 g/mol
Exact Mass293.18
IUPAC Name1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide
SMILESCOCC(CN)S(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C12H27N3O3S/c1-10(2)15-6-4-11(5-7-15)14-19(16,17)12(8-13)9-18-3/h10-12,14H,4-9,13H2,1-3H3
InChIKeyQFHFGJXMVLJJFI-UHFFFAOYSA-N
XLogP-0.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
The IUPAC name of 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide (CID 68822827) is 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide.
What is the SMILES notation for 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
The canonical SMILES for 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide is COCC(CN)S(=O)(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
The InChIKey is QFHFGJXMVLJJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3S/c1-10(2)15-6-4-11(5-7-15)14-19(16,17)12(8-13)9-18-3/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide?
1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide has a molecular weight of 293.43 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methoxy-N-(1-propan-2-ylpiperidin-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 68822827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).