1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine

C11H24N2O4S2 — CID 55173688

IUPAC1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-6-12-11-4-7-13(8-5-11)19(16,17)10-9-18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyBNZHAQXWHMHMFS-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.18
Rot. Bonds7

About 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine

1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine (PubChem CID 55173688) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
PubChem CID55173688
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC Name1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-3-6-12-11-4-7-13(8-5-11)19(16,17)10-9-18(2,14)15/h11-12H,3-10H2,1-2H3
InChIKeyBNZHAQXWHMHMFS-UHFFFAOYSA-N
XLogP-0.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylbutylsulfonyl)-N-propylpiperidin-4-amine
CID 63834582
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
N-(cyclopropylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748011
N-(4-methylsulfanylbutyl)-1-propylsulfonylpiperidin-4-amine
CID 103087749
1-(difluoromethylsulfonyl)-N-propylpiperidin-4-amine
CID 60820125
N-(2-methylsulfonylethyl)-1-propylpiperidin-4-amine
CID 60920378
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
1-morpholin-4-ylsulfonyl-N-propylpiperidin-4-amine
CID 54923533
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
N-[1-(1-propylsulfonylpiperidin-4-yl)ethyl]propan-1-amine
CID 63853504

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine?
The IUPAC name of 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine (CID 55173688) is 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine is CCCNC1CCN(S(=O)(=O)CCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine?
The InChIKey is BNZHAQXWHMHMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-3-6-12-11-4-7-13(8-5-11)19(16,17)10-9-18(2,14)15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine?
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of -0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 55173688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).