[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid

C12H23N3O4S — CID 67028047

IUPAC[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(CCNS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-14(12(16)17)10-4-7-15(8-5-10)9-6-13-20(18,19)11-2-3-11/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyGBMJRZSUWSWIMY-UHFFFAOYSA-N
MW305.40 g/mol
LogP0.14
Rot. Bonds6

About [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid

[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid (PubChem CID 67028047) has the molecular formula C12H23N3O4S and a molecular weight of 305.40 g/mol. Its IUPAC name is [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid
PubChem CID67028047
Molecular FormulaC12H23N3O4S
Molecular Weight305.40 g/mol
Exact Mass305.14
IUPAC Name[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid
SMILESCN(C(=O)O)C1CCN(CCNS(=O)(=O)C2CC2)CC1
InChIInChI=1S/C12H23N3O4S/c1-14(12(16)17)10-4-7-15(8-5-10)9-6-13-20(18,19)11-2-3-11/h10-11,13H,2-9H2,1H3,(H,16,17)
InChIKeyGBMJRZSUWSWIMY-UHFFFAOYSA-N
XLogP0.14
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid?
The IUPAC name of [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid (CID 67028047) is [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid?
The canonical SMILES for [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid is CN(C(=O)O)C1CCN(CCNS(=O)(=O)C2CC2)CC1.
What is the InChIKey of [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid?
The InChIKey is GBMJRZSUWSWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S/c1-14(12(16)17)10-4-7-15(8-5-10)9-6-13-20(18,19)11-2-3-11/h10-11,13H,2-9H2,1H3,(H,16,17).
What are the key properties of [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid?
[1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid has a molecular weight of 305.40 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclopropylsulfonylamino)ethyl]piperidin-4-yl]-methylcarbamic acid is sourced from PubChem (CID 67028047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).