2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

C13H29N3O3S — CID 68824666

IUPAC2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCC(C)N1CCC(N(CCCO)S(=O)(=O)CCN)CC1
InChIInChI=1S/C13H29N3O3S/c1-12(2)15-8-4-13(5-9-15)16(7-3-10-17)20(18,19)11-6-14/h12-13,17H,3-11,14H2,1-2H3
InChIKeyOQQBIVQRWQBKPR-UHFFFAOYSA-N
MW307.46 g/mol
LogP-0.17
Rot. Bonds8

About 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide

2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (PubChem CID 68824666) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
PubChem CID68824666
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide
SMILESCC(C)N1CCC(N(CCCO)S(=O)(=O)CCN)CC1
InChIInChI=1S/C13H29N3O3S/c1-12(2)15-8-4-13(5-9-15)16(7-3-10-17)20(18,19)11-6-14/h12-13,17H,3-11,14H2,1-2H3
InChIKeyOQQBIVQRWQBKPR-UHFFFAOYSA-N
XLogP-0.17
TPSA86.87 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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide (CID 68824666) is 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is CC(C)N1CCC(N(CCCO)S(=O)(=O)CCN)CC1.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
The InChIKey is OQQBIVQRWQBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-12(2)15-8-4-13(5-9-15)16(7-3-10-17)20(18,19)11-6-14/h12-13,17H,3-11,14H2,1-2H3.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide?
2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide has a molecular weight of 307.46 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-N-(1-propan-2-ylpiperidin-4-yl)ethanesulfonamide is sourced from PubChem (CID 68824666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).