N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide

C11H24N2O2S — CID 106310465

IUPACN-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
SMILESCCCCNC(=O)CNCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-2-3-5-13-11(15)10-12-6-9-16-8-4-7-14/h12,14H,2-10H2,1H3,(H,13,15)
InChIKeyZILLBILLMTYRBT-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.61
Rot. Bonds11

About N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide

N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide (PubChem CID 106310465) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
PubChem CID106310465
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide
SMILESCCCCNC(=O)CNCCSCCCO
InChIInChI=1S/C11H24N2O2S/c1-2-3-5-13-11(15)10-12-6-9-16-8-4-7-14/h12,14H,2-10H2,1H3,(H,13,15)
InChIKeyZILLBILLMTYRBT-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide 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-(ethylamino)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 106310997
N-butyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66127230
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
N-pentyl-2-(pentylamino)acetamide
CID 109005932
3-[2-(hexylamino)ethylsulfanyl]propan-1-ol
CID 106309422
N-butyl-2-octylsulfanylacetamide
CID 4583267
heptane;N-(2-hydroxyethyl)-2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetamide
CID 142436923
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-propan-2-ylpropanamide
CID 106310415
2-(2-prop-2-enylsulfanylethylamino)-N-propylacetamide
CID 106427805
3-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]hexanamide
CID 106310993
2-butylsulfanyl-N-(2-butylsulfanylethyl)ethanamine;oxalic acid
CID 46786043
N-butyl-2-(2,2-dimethylpropylamino)acetamide
CID 61485526

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide?
The IUPAC name of N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide (CID 106310465) is N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide.
What is the SMILES notation for N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide?
The canonical SMILES for N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide is CCCCNC(=O)CNCCSCCCO.
What is the InChIKey of N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide?
The InChIKey is ZILLBILLMTYRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-2-3-5-13-11(15)10-12-6-9-16-8-4-7-14/h12,14H,2-10H2,1H3,(H,13,15).
What are the key properties of N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide?
N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide has a molecular weight of 248.39 g/mol, XLogP of 0.61, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(3-hydroxypropylsulfanyl)ethylamino]acetamide is sourced from PubChem (CID 106310465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).