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

C13H29N3O3S — CID 68824374

IUPAC1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
SMILESCOCCC(CN)S(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3O3S/c1-11(2)16-7-4-12(5-8-16)15-20(17,18)13(10-14)6-9-19-3/h11-13,15H,4-10,14H2,1-3H3
InChIKeyQKUIQUMHYBDHNH-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.14
Rot. Bonds8

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

1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide (PubChem CID 68824374) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide.

Molecular Properties

Compound Name1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
PubChem CID68824374
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide
SMILESCOCCC(CN)S(=O)(=O)NC1CCN(C(C)C)CC1
InChIInChI=1S/C13H29N3O3S/c1-11(2)16-7-4-12(5-8-16)15-20(17,18)13(10-14)6-9-19-3/h11-13,15H,4-10,14H2,1-3H3
InChIKeyQKUIQUMHYBDHNH-UHFFFAOYSA-N
XLogP0.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
The IUPAC name of 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide (CID 68824374) is 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide.
What is the SMILES notation for 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
The canonical SMILES for 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide is COCCC(CN)S(=O)(=O)NC1CCN(C(C)C)CC1.
What is the InChIKey of 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
The InChIKey is QKUIQUMHYBDHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-11(2)16-7-4-12(5-8-16)15-20(17,18)13(10-14)6-9-19-3/h11-13,15H,4-10,14H2,1-3H3.
What are the key properties of 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide?
1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide has a molecular weight of 307.46 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)butane-2-sulfonamide is sourced from PubChem (CID 68824374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).