4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol

C11H24N2O3S — CID 113262654

IUPAC4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O3S/c1-10(4-3-9-14)12-11-5-7-13(8-6-11)17(2,15)16/h10-12,14H,3-9H2,1-2H3
InChIKeyYZSOJCVWLXDLQQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.16
Rot. Bonds6

About 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol

4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol (PubChem CID 113262654) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
PubChem CID113262654
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
SMILESCC(CCCO)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O3S/c1-10(4-3-9-14)12-11-5-7-13(8-6-11)17(2,15)16/h10-12,14H,3-9H2,1-2H3
InChIKeyYZSOJCVWLXDLQQ-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-hydroxypentan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83201911
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
(4R)-4-[[(3R)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852107
(4R)-4-[[(3S)-1-cyclopentylpyrrolidin-3-yl]amino]pentan-1-ol
CID 99852109
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
CID 56708476
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
N-heptan-3-yl-1-methylsulfonylpiperidin-4-amine
CID 63945691
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
CID 43628998
N-hex-1-yn-3-yl-1-methylsulfonylpiperidin-4-amine
CID 114239294

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
The IUPAC name of 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol (CID 113262654) is 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
The canonical SMILES for 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol is CC(CCCO)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
The InChIKey is YZSOJCVWLXDLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(4-3-9-14)12-11-5-7-13(8-6-11)17(2,15)16/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol?
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol is sourced from PubChem (CID 113262654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).