1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride

C10H21ClN2O3S — CID 119959448

IUPAC1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)CC2CCOC2)C1
InChIInChI=1S/C10H20N2O3S.ClH/c11-10-2-1-4-12(6-10)16(13,14)8-9-3-5-15-7-9;/h9-10H,1-8,11H2;1H
InChIKeyBTYUYEWPHUYQKD-UHFFFAOYSA-N
MW284.81 g/mol
LogP0.20
Rot. Bonds3

About 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride

1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride (PubChem CID 119959448) has the molecular formula C10H21ClN2O3S and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
PubChem CID119959448
Molecular FormulaC10H21ClN2O3S
Molecular Weight284.81 g/mol
Exact Mass284.10
IUPAC Name1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)CC2CCOC2)C1
InChIInChI=1S/C10H20N2O3S.ClH/c11-10-2-1-4-12(6-10)16(13,14)8-9-3-5-15-7-9;/h9-10H,1-8,11H2;1H
InChIKeyBTYUYEWPHUYQKD-UHFFFAOYSA-N
XLogP0.20
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963176
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 119981822
3,3-dimethyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-4-amine
CID 120779200
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
CID 97217854
(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
[3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 119984742
1-[[(2R)-1-methylpiperidin-2-yl]methyl]-4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazine
CID 95322985

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride?
The IUPAC name of 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride (CID 119959448) is 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)CC2CCOC2)C1.
What is the InChIKey of 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride?
The InChIKey is BTYUYEWPHUYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S.ClH/c11-10-2-1-4-12(6-10)16(13,14)8-9-3-5-15-7-9;/h9-10H,1-8,11H2;1H.
What are the key properties of 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride?
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride has a molecular weight of 284.81 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).