1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol

C14H28N2O3S — CID 79560533

IUPAC1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H28N2O3S/c1-13(17)12-14-8-4-2-7-11-16(14)20(18,19)15-9-5-3-6-10-15/h13-14,17H,2-12H2,1H3
InChIKeyTTXBAOFPTSHOGT-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.73
Rot. Bonds4

About 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol

1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol (PubChem CID 79560533) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
PubChem CID79560533
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC Name1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
SMILESCC(O)CC1CCCCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C14H28N2O3S/c1-13(17)12-14-8-4-2-7-11-16(14)20(18,19)15-9-5-3-6-10-15/h13-14,17H,2-12H2,1H3
InChIKeyTTXBAOFPTSHOGT-UHFFFAOYSA-N
XLogP1.73
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
1-(1-methylsulfonylazepan-2-yl)propan-2-ol
CID 79559855
2-(2-hydroxypropyl)-N-propan-2-ylazepane-1-sulfonamide
CID 114809952
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
methyl N-[2-(2-hydroxypropyl)azepan-1-yl]sulfonylcarbamate
CID 114464433
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725
1-(1-benzylsulfonylazepan-2-yl)propan-2-ol
CID 79540960
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
CID 116636735
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-one
CID 79546293
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol?
The IUPAC name of 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol (CID 79560533) is 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol?
The canonical SMILES for 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol is CC(O)CC1CCCCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol?
The InChIKey is TTXBAOFPTSHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-13(17)12-14-8-4-2-7-11-16(14)20(18,19)15-9-5-3-6-10-15/h13-14,17H,2-12H2,1H3.
What are the key properties of 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol?
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol has a molecular weight of 304.46 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol is sourced from PubChem (CID 79560533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).