3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C14H26ClN3O2S2 — CID 120579448

IUPAC3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1CSCCS1
InChIInChI=1S/C14H25N3O2S2.ClH/c15-5-4-13(18)16-9-11-3-1-2-6-17(11)14(19)12-10-20-7-8-21-12;/h11-12H,1-10,15H2,(H,16,18);1H
InChIKeyWXRBHIUKERIGSW-UHFFFAOYSA-N
MW367.97 g/mol
LogP1.10
Rot. Bonds5

About 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120579448) has the molecular formula C14H26ClN3O2S2 and a molecular weight of 367.97 g/mol. Its IUPAC name is 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120579448
Molecular FormulaC14H26ClN3O2S2
Molecular Weight367.97 g/mol
Exact Mass367.12
IUPAC Name3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)C1CSCCS1
InChIInChI=1S/C14H25N3O2S2.ClH/c15-5-4-13(18)16-9-11-3-1-2-6-17(11)14(19)12-10-20-7-8-21-12;/h11-12H,1-10,15H2,(H,16,18);1H
InChIKeyWXRBHIUKERIGSW-UHFFFAOYSA-N
XLogP1.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
1,4-dithian-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651810
N-[[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-2-yl]methyl]-3-aminopropanamide;hydrochloride
CID 120580308
3-amino-N-[[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578758
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120579448) is 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)C1CSCCS1.
What is the InChIKey of 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is WXRBHIUKERIGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2.ClH/c15-5-4-13(18)16-9-11-3-1-2-6-17(11)14(19)12-10-20-7-8-21-12;/h11-12H,1-10,15H2,(H,16,18);1H.
What are the key properties of 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 367.97 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(1,4-dithiane-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120579448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).