5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol

C9H21NO3S — CID 107270412

IUPAC5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-8(7-14(3,12)13)10-6-4-5-9(2)11/h8-11H,4-7H2,1-3H3
InChIKeyAFVDWMXQYOAHGJ-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.17
Rot. Bonds7

About 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol

5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol (PubChem CID 107270412) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
PubChem CID107270412
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
SMILESCC(O)CCCNC(C)CS(C)(=O)=O
InChIInChI=1S/C9H21NO3S/c1-8(7-14(3,12)13)10-6-4-5-9(2)11/h8-11H,4-7H2,1-3H3
InChIKeyAFVDWMXQYOAHGJ-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(1-methylsulfonylpropan-2-ylamino)pentan-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

2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
methyl 4-(1-methylsulfonylpropan-2-ylamino)butanoate
CID 64629341
5-(pentan-2-ylamino)pentan-2-ol
CID 107270408
N-(3-ethenoxypropyl)-1-methylsulfonylpropan-2-amine
CID 64629913
2-(1-methylsulfonylpropan-2-ylamino)ethylurea
CID 83111655
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
CID 81092736
5-(3-hydroxybutan-2-ylamino)pentan-2-ol
CID 106130571
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
The IUPAC name of 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol (CID 107270412) is 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
The canonical SMILES for 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol is CC(O)CCCNC(C)CS(C)(=O)=O.
What is the InChIKey of 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
The InChIKey is AFVDWMXQYOAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-8(7-14(3,12)13)10-6-4-5-9(2)11/h8-11H,4-7H2,1-3H3.
What are the key properties of 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol?
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol has a molecular weight of 223.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 107270412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).