N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride

C12H25ClN2O4S2 — CID 120874307

IUPACN-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C12H24N2O4S2.ClH/c13-12(6-2-1-3-7-12)10-14-20(17,18)11-4-8-19(15,16)9-5-11;/h11,14H,1-10,13H2;1H
InChIKeyORYKFHSNJZSFCN-UHFFFAOYSA-N
MW360.93 g/mol
LogP0.57
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride

N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride (PubChem CID 120874307) has the molecular formula C12H25ClN2O4S2 and a molecular weight of 360.93 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
PubChem CID120874307
Molecular FormulaC12H25ClN2O4S2
Molecular Weight360.93 g/mol
Exact Mass360.09
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
SMILESCl.NC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CCCCC1
InChIInChI=1S/C12H24N2O4S2.ClH/c13-12(6-2-1-3-7-12)10-14-20(17,18)11-4-8-19(15,16)9-5-11;/h11,14H,1-10,13H2;1H
InChIKeyORYKFHSNJZSFCN-UHFFFAOYSA-N
XLogP0.57
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-[(1-aminocyclopropyl)methyl]cyclopropanesulfonamide
CID 165466108
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-1,1-dioxothiane-4-sulfonamide
CID 114759085
N-[(1-aminocycloheptyl)methyl]oxane-3-sulfonamide
CID 120875677
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
N-[(1-aminocyclohexyl)methyl]methanesulfonamide;hydrochloride
CID 119958900
N-ethyl-1,1-dioxothiane-4-sulfonamide
CID 62086014
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970367
1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide
CID 131949970
N-(2-bromoethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084947
N-(cyanomethyl)-1,1-dioxothiane-4-sulfonamide
CID 62084754

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride (CID 120874307) is N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride is Cl.NC1(CNS(=O)(=O)C2CCS(=O)(=O)CC2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride?
The InChIKey is ORYKFHSNJZSFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S2.ClH/c13-12(6-2-1-3-7-12)10-14-20(17,18)11-4-8-19(15,16)9-5-11;/h11,14H,1-10,13H2;1H.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride?
N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120874307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).