3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol

C10H22N2O3S — CID 114357468

IUPAC3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
SMILESCN(CCS(C)(=O)=O)C(CO)C(N)C1CC1
InChIInChI=1S/C10H22N2O3S/c1-12(5-6-16(2,14)15)9(7-13)10(11)8-3-4-8/h8-10,13H,3-7,11H2,1-2H3
InChIKeyWXMVQXZITAUKDE-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.94
Rot. Bonds7

About 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol

3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol (PubChem CID 114357468) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
PubChem CID114357468
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
SMILESCN(CCS(C)(=O)=O)C(CO)C(N)C1CC1
InChIInChI=1S/C10H22N2O3S/c1-12(5-6-16(2,14)15)9(7-13)10(11)8-3-4-8/h8-10,13H,3-7,11H2,1-2H3
InChIKeyWXMVQXZITAUKDE-UHFFFAOYSA-N
XLogP-0.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol (CID 114357468) is 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol is CN(CCS(C)(=O)=O)C(CO)C(N)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
The InChIKey is WXMVQXZITAUKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-12(5-6-16(2,14)15)9(7-13)10(11)8-3-4-8/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol?
3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol has a molecular weight of 250.36 g/mol, XLogP of -0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-[methyl(2-methylsulfonylethyl)amino]propan-1-ol is sourced from PubChem (CID 114357468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).