N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide

C12H24N2O2S — CID 104593565

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
SMILESCC(O)CNCCNC(=O)CC1CCSCC1
InChIInChI=1S/C12H24N2O2S/c1-10(15)9-13-4-5-14-12(16)8-11-2-6-17-7-3-11/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyFUKCQBWSEWWDEU-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.61
Rot. Bonds7

About N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide

N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide (PubChem CID 104593565) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
PubChem CID104593565
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide
SMILESCC(O)CNCCNC(=O)CC1CCSCC1
InChIInChI=1S/C12H24N2O2S/c1-10(15)9-13-4-5-14-12(16)8-11-2-6-17-7-3-11/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyFUKCQBWSEWWDEU-UHFFFAOYSA-N
XLogP0.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)-2-(thian-4-yl)acetamide
CID 83137171
2-(1,1-dioxothiolan-3-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593410
N-(2-bromo-4-methylpentyl)-2-(thian-4-yl)acetamide
CID 107157564
N-(4-chloropentyl)-2-(thian-4-yl)acetamide
CID 106129807
N-(2-cyanopropyl)-2-(thian-4-yl)acetamide
CID 80709073
3-cyclopentyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593435
4-methyl-6-[[2-(thian-4-yl)acetyl]amino]hexanoic acid
CID 83145581
N-propan-2-yl-2-(thian-4-yl)acetamide
CID 80708318
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
1-cyclopentyl-3-[2-(2-hydroxypropylamino)ethyl]urea
CID 104593877

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide (CID 104593565) is N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide is CC(O)CNCCNC(=O)CC1CCSCC1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide?
The InChIKey is FUKCQBWSEWWDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(15)9-13-4-5-14-12(16)8-11-2-6-17-7-3-11/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide has a molecular weight of 260.40 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-(thian-4-yl)acetamide is sourced from PubChem (CID 104593565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).