N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide

C14H29N3O2S — CID 43598288

IUPACN-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(N)CCCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13-6-10-17(11-7-13)20(18,19)16-12-14(15)8-4-2-3-5-9-14/h13,16H,2-12,15H2,1H3
InChIKeyZIEIVOUEUMQGSF-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.60
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide

N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 43598288) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide
PubChem CID43598288
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC NameN-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC2(N)CCCCCC2)CC1
InChIInChI=1S/C14H29N3O2S/c1-13-6-10-17(11-7-13)20(18,19)16-12-14(15)8-4-2-3-5-9-14/h13,16H,2-12,15H2,1H3
InChIKeyZIEIVOUEUMQGSF-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-sulfonamide
CID 91642856
N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methylpiperidine-1-sulfonamide
CID 45881399
4-Ethyl-2-methyl-3-(3-methylbutyl)-1,2,6-thiadiazinane 1,1-dioxide
CID 118241953
N-[1-(aminomethyl)cyclohexyl]-4-methylpiperidine-1-sulfonamide
CID 28940478
N-[1-(aminomethyl)cyclopentyl]-4-methylpiperidine-1-sulfonamide
CID 28940516
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide (CID 43598288) is N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC2(N)CCCCCC2)CC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is ZIEIVOUEUMQGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13-6-10-17(11-7-13)20(18,19)16-12-14(15)8-4-2-3-5-9-14/h13,16H,2-12,15H2,1H3.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide?
N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.60, 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]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43598288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).