N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide

C12H25N3O2S — CID 43598289

IUPACN-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide
SMILESNC1(CNS(=O)(=O)N2CCCC2)CCCCCC1
InChIInChI=1S/C12H25N3O2S/c13-12(7-3-1-2-4-8-12)11-14-18(16,17)15-9-5-6-10-15/h14H,1-11,13H2
InChIKeyBOFMHJBKSSGDSS-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.97
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide

N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 43598289) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID43598289
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide
SMILESNC1(CNS(=O)(=O)N2CCCC2)CCCCCC1
InChIInChI=1S/C12H25N3O2S/c13-12(7-3-1-2-4-8-12)11-14-18(16,17)15-9-5-6-10-15/h14H,1-11,13H2
InChIKeyBOFMHJBKSSGDSS-UHFFFAOYSA-N
XLogP0.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclohexyl]pyrrolidine-1-sulfonamide
CID 28940474
N-[1-(aminomethyl)cyclopentyl]pyrrolidine-1-sulfonamide
CID 28940512
N-[1-(aminomethyl)cyclooctyl]pyrrolidine-1-sulfonamide
CID 28940606
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
N-[1-(aminomethyl)cycloheptyl]pyrrolidine-1-sulfonamide
CID 28940656
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662
N-[1-(aminomethyl)cycloheptyl]azepane-1-sulfonamide
CID 28940664
1-(Aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
CID 28940666
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674
N-[1-(aminomethyl)-4-ethylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940736
1-[(Diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide (CID 43598289) is N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide is NC1(CNS(=O)(=O)N2CCCC2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is BOFMHJBKSSGDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-12(7-3-1-2-4-8-12)11-14-18(16,17)15-9-5-6-10-15/h14H,1-11,13H2.
What are the key properties of N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide?
N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 43598289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).