3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol

C11H25NO3S — CID 106115414

IUPAC3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCCCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-3-5-11(6-8-13)10-12-7-4-9-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyDQUQKCRAKMDWNP-UHFFFAOYSA-N
MW251.39 g/mol
LogP0.81
Rot. Bonds10

About 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol

3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol (PubChem CID 106115414) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
PubChem CID106115414
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC Name3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
SMILESCCCC(CCO)CNCCCS(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-3-5-11(6-8-13)10-12-7-4-9-16(2,14)15/h11-13H,3-10H2,1-2H3
InChIKeyDQUQKCRAKMDWNP-UHFFFAOYSA-N
XLogP0.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(3-methylsulfonylpropyl)guanidine
CID 111713151
N-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]acetamide
CID 106115320
3-[(hept-6-enylamino)methyl]hexan-1-ol
CID 106115194
3-chloro-N-[2-(2-hydroxyethyl)pentyl]propane-1-sulfonamide
CID 106115961
N,2-dipropylpentan-1-amine
CID 62530512
3-[(prop-2-ynylamino)methyl]hexan-1-ol
CID 106114791
2-amino-3-(3-methylsulfonylpropylamino)propanoic acid
CID 64582441
1-chloro-N-[2-(2-hydroxyethyl)pentyl]methanesulfonamide
CID 106115960
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111712226
N-ethyl-4-methyl-2-(3-methylsulfonylpropyl)pentan-1-amine
CID 63195970
(Z)-2-ethyl-4-[2-(2-hydroxyethyl)pentylamino]but-2-enoic acid
CID 106115815

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol (CID 106115414) is 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol is CCCC(CCO)CNCCCS(C)(=O)=O.
What is the InChIKey of 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol?
The InChIKey is DQUQKCRAKMDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-3-5-11(6-8-13)10-12-7-4-9-16(2,14)15/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol?
3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol has a molecular weight of 251.39 g/mol, XLogP of 0.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106115414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).