N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C12H21N3O3S2 — CID 43598265

IUPACN-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H21N3O3S2/c1-9-10(19-11(16)15-9)20(17,18)14-8-12(13)6-4-2-3-5-7-12/h14H,2-8,13H2,1H3,(H,15,16)
InChIKeyBXHWFPJJYKGMHU-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.07
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43598265) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID43598265
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC NameN-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCC1(N)CCCCCC1
InChIInChI=1S/C12H21N3O3S2/c1-9-10(19-11(16)15-9)20(17,18)14-8-12(13)6-4-2-3-5-7-12/h14H,2-8,13H2,1H3,(H,15,16)
InChIKeyBXHWFPJJYKGMHU-UHFFFAOYSA-N
XLogP1.07
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 43598265) is N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCC1(N)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is BXHWFPJJYKGMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-9-10(19-11(16)15-9)20(17,18)14-8-12(13)6-4-2-3-5-7-12/h14H,2-8,13H2,1H3,(H,15,16).
What are the key properties of N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 319.45 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43598265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).