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

C11H22N2OS — CID 80736795

IUPAC2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCC1(C)CCCS1
InChIInChI=1S/C11H22N2OS/c1-3-5-9(12)10(14)13-8-11(2)6-4-7-15-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyDADCQRHSSPVYMS-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.52
Rot. Bonds5

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

2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide (PubChem CID 80736795) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
PubChem CID80736795
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCC1(C)CCCS1
InChIInChI=1S/C11H22N2OS/c1-3-5-9(12)10(14)13-8-11(2)6-4-7-15-11/h9H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyDADCQRHSSPVYMS-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936
(2R)-2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797619
2-amino-N-[(1-propan-2-ylcyclopropyl)methyl]pentanamide
CID 103797625
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
CID 120563633
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
(2S)-2-amino-3-methyl-N-[2-[(2-methylthiolan-2-yl)methylamino]-2-oxoethyl]butanamide
CID 82961485
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
2-amino-3-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80743142
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide (CID 80736795) is 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide is CCCC(N)C(=O)NCC1(C)CCCS1.
What is the InChIKey of 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide?
The InChIKey is DADCQRHSSPVYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-5-9(12)10(14)13-8-11(2)6-4-7-15-11/h9H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide?
2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide has a molecular weight of 230.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide is sourced from PubChem (CID 80736795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).