[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine

C10H21N3O3S — CID 113415492

IUPAC[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
SMILESNCC1CNCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H21N3O3S/c11-6-9-7-12-3-4-13(9)17(14,15)8-10-2-1-5-16-10/h9-10,12H,1-8,11H2
InChIKeyUYNXMYYWMTTYIG-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.27
Rot. Bonds4

About [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine

[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine (PubChem CID 113415492) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
PubChem CID113415492
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
SMILESNCC1CNCCN1S(=O)(=O)CC1CCCO1
InChIInChI=1S/C10H21N3O3S/c11-6-9-7-12-3-4-13(9)17(14,15)8-10-2-1-5-16-10/h9-10,12H,1-8,11H2
InChIKeyUYNXMYYWMTTYIG-UHFFFAOYSA-N
XLogP-1.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-yl)-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 63246471
1-(oxolan-2-yl)-N-[6-(trifluoromethyl)piperidin-3-yl]methanesulfonamide
CID 82810868
1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide;hydrochloride
CID 120778811
1-(oxolan-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)methanesulfonamide
CID 120778812
N-[2-[butan-2-yl(methyl)amino]ethyl]oxane-4-sulfonamide
CID 56803800
1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 63246231
3-Methyl-1-(oxan-4-ylsulfonyl)piperazine
CID 65448066
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylmethanesulfonamide
CID 54974120
N-[3-(propan-2-ylamino)propyl]oxane-4-sulfonamide
CID 55031616
N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
CID 55139077
1-(oxolan-2-yl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 55167698
N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 55169496

Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine?
The IUPAC name of [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine (CID 113415492) is [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine.
What is the SMILES notation for [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine?
The canonical SMILES for [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine is NCC1CNCCN1S(=O)(=O)CC1CCCO1.
What is the InChIKey of [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine?
The InChIKey is UYNXMYYWMTTYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c11-6-9-7-12-3-4-13(9)17(14,15)8-10-2-1-5-16-10/h9-10,12H,1-8,11H2.
What are the key properties of [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine?
[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of -1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine is sourced from PubChem (CID 113415492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).