N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide

C14H29N3O4S — CID 131913968

IUPACN-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)NC2CCN(CCO)CC2)CC1
InChIInChI=1S/C14H29N3O4S/c1-21-12-13-2-8-17(9-3-13)22(19,20)15-14-4-6-16(7-5-14)10-11-18/h13-15,18H,2-12H2,1H3
InChIKeyBQXCYGHGVCQVII-UHFFFAOYSA-N
MW335.47 g/mol
LogP-0.36
Rot. Bonds7

About N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide

N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide (PubChem CID 131913968) has the molecular formula C14H29N3O4S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide
PubChem CID131913968
Molecular FormulaC14H29N3O4S
Molecular Weight335.47 g/mol
Exact Mass335.19
IUPAC NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCOCC1CCN(S(=O)(=O)NC2CCN(CCO)CC2)CC1
InChIInChI=1S/C14H29N3O4S/c1-21-12-13-2-8-17(9-3-13)22(19,20)15-14-4-6-16(7-5-14)10-11-18/h13-15,18H,2-12H2,1H3
InChIKeyBQXCYGHGVCQVII-UHFFFAOYSA-N
XLogP-0.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,6R)-6-[[4-(methoxymethyl)piperidin-1-yl]sulfonylamino]cyclohex-3-ene-1-carboxamide
CID 122566142
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131950598
N-cyclopropyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 114386511
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
N-[1-(2-methoxyacetyl)piperidin-4-yl]piperazine-1-sulfonamide
CID 61254500
2-(cyclopropylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutan-1-ol
CID 64791805
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
3-[4-(cyclopropylsulfamoyl)piperazin-1-yl]propanoic acid
CID 114533580
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide (CID 131913968) is N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide is COCC1CCN(S(=O)(=O)NC2CCN(CCO)CC2)CC1.
What is the InChIKey of N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The InChIKey is BQXCYGHGVCQVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O4S/c1-21-12-13-2-8-17(9-3-13)22(19,20)15-14-4-6-16(7-5-14)10-11-18/h13-15,18H,2-12H2,1H3.
What are the key properties of N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide?
N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide has a molecular weight of 335.47 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 131913968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).