N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride

C11H24ClN3O3S2 — CID 22732128

IUPACN-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCCCC(N)C(=O)N1CCSC1)S(C)(=O)=O.Cl
InChIInChI=1S/C11H23N3O3S2.ClH/c1-13(19(2,16)17)6-4-3-5-10(12)11(15)14-7-8-18-9-14;/h10H,3-9,12H2,1-2H3;1H
InChIKeyNURRTABGXGMWCV-UHFFFAOYSA-N
MW345.92 g/mol
LogP0.33
Rot. Bonds7

About N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride

N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride (PubChem CID 22732128) has the molecular formula C11H24ClN3O3S2 and a molecular weight of 345.92 g/mol. Its IUPAC name is N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride
PubChem CID22732128
Molecular FormulaC11H24ClN3O3S2
Molecular Weight345.92 g/mol
Exact Mass345.09
IUPAC NameN-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride
SMILESCN(CCCCC(N)C(=O)N1CCSC1)S(C)(=O)=O.Cl
InChIInChI=1S/C11H23N3O3S2.ClH/c1-13(19(2,16)17)6-4-3-5-10(12)11(15)14-7-8-18-9-14;/h10H,3-9,12H2,1-2H3;1H
InChIKeyNURRTABGXGMWCV-UHFFFAOYSA-N
XLogP0.33
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 70304364
2-amino-4-methylsulfonyl-1-thiomorpholin-4-ylbutan-1-one
CID 43210676
(2S)-2-amino-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 59007232
(2S)-2-amino-1-thiomorpholin-4-ylbutan-1-one
CID 79025535
4-amino-5-oxo-5-thiomorpholin-4-ylpentanoic acid
CID 64895022
6-[4-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]piperazin-1-yl]pyridine-3-carboxamide
CID 23014330
N-[(3S)-3-aminobutyl]-N-methylmethanesulfonamide
CID 129411516
(2R)-2-amino-3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 71131250
2-amino-6-[4-(1-phenylbenzimidazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one
CID 23014288
2-amino-6-[4-(5-methoxy-1,3-benzoxazol-2-yl)piperazin-1-yl]-1-(1,3-thiazolidin-3-yl)hexan-1-one
CID 23014424
2-amino-4-phenyl-1-thiomorpholin-4-ylbutan-1-one
CID 114925089
2-amino-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 50988106

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride?
The IUPAC name of N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride (CID 22732128) is N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride is CN(CCCCC(N)C(=O)N1CCSC1)S(C)(=O)=O.Cl.
What is the InChIKey of N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride?
The InChIKey is NURRTABGXGMWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S2.ClH/c1-13(19(2,16)17)6-4-3-5-10(12)11(15)14-7-8-18-9-14;/h10H,3-9,12H2,1-2H3;1H.
What are the key properties of N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride?
N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-6-oxo-6-(1,3-thiazolidin-3-yl)hexyl]-N-methylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 22732128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).