4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride

C11H23ClN2OS — CID 120563633

IUPAC4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(C)CCCS1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-9(12)4-5-10(14)13-8-11(2)6-3-7-15-11;/h9H,3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyUAKFMEIDFGPBCB-UHFFFAOYSA-N
MW266.84 g/mol
LogP1.94
Rot. Bonds5

About 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride

4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride (PubChem CID 120563633) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
PubChem CID120563633
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(C)CCCS1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-9(12)4-5-10(14)13-8-11(2)6-3-7-15-11;/h9H,3-8,12H2,1-2H3,(H,13,14);1H
InChIKeyUAKFMEIDFGPBCB-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride 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

3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
CID 80737620
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485
2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
CID 80736795
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
5-[(2-methylthiolan-2-yl)methylcarbamoylamino]hexanoic acid
CID 82849016
4-amino-N-[(1-ethylcyclobutyl)methyl]pentanamide
CID 106813317
N-[(2-methylthiolan-2-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032910
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride (CID 120563633) is 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCC1(C)CCCS1.Cl.
What is the InChIKey of 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride?
The InChIKey is UAKFMEIDFGPBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-9(12)4-5-10(14)13-8-11(2)6-3-7-15-11;/h9H,3-8,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride?
4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120563633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).