1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol

C10H22N2O3S — CID 60887095

IUPAC1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
SMILESCCC(O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-10(13)8-11-9-4-6-12(7-5-9)16(2,14)15/h9-11,13H,3-8H2,1-2H3
InChIKeyIFCHDQQUWYCENM-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.23
Rot. Bonds5

About 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol

1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol (PubChem CID 60887095) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
PubChem CID60887095
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
SMILESCCC(O)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H22N2O3S/c1-3-10(13)8-11-9-4-6-12(7-5-9)16(2,14)15/h9-11,13H,3-8H2,1-2H3
InChIKeyIFCHDQQUWYCENM-UHFFFAOYSA-N
XLogP-0.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 60908468
1-(1-methoxypropan-2-yloxy)-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 106989436
1-(cyclobutylamino)butan-2-ol
CID 62416322
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 47460723
N-heptan-4-yl-1-methylsulfonylpiperidin-4-amine
CID 43628807
4-(2-hydroxybutylamino)cyclohexane-1-carboxamide
CID 61042883

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol?
The IUPAC name of 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol (CID 60887095) is 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol is CCC(O)CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol?
The InChIKey is IFCHDQQUWYCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-10(13)8-11-9-4-6-12(7-5-9)16(2,14)15/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol?
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol has a molecular weight of 250.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 60887095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).