N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide

C7H18N2O2S — CID 61123188

IUPACN-[3-(aminomethyl)pentan-3-yl]methanesulfonamide
SMILESCCC(CC)(CN)NS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-7(5-2,6-8)9-12(3,10)11/h9H,4-6,8H2,1-3H3
InChIKeyXJTQGDDMWFFSRD-UHFFFAOYSA-N
MW194.30 g/mol
LogP0.05
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide

N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide (PubChem CID 61123188) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]methanesulfonamide
PubChem CID61123188
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]methanesulfonamide
SMILESCCC(CC)(CN)NS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-4-7(5-2,6-8)9-12(3,10)11/h9H,4-6,8H2,1-3H3
InChIKeyXJTQGDDMWFFSRD-UHFFFAOYSA-N
XLogP0.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-4-methylpentyl]methanesulfonamide
CID 127043189
N-(1-amino-2,4-dimethylpentan-2-yl)methanesulfonamide
CID 84591478
N-(1-amino-2-methylpropan-2-yl)methanesulfonamide
CID 51975222
N-(2-amino-2-methylpropyl)methanesulfonamide
CID 54269131
N-[3-(aminomethyl)pentan-3-yl]-1,1-difluoromethanesulfonamide
CID 61124575
N-[3-(aminomethyl)pentan-3-yl]-1,1,1-trifluoromethanesulfonamide
CID 63889578
N-(2-amino-2-ethylbutyl)-1,1-difluoromethanesulfonamide
CID 115305904
N-(2-amino-2-ethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 115306065
N-[3-(aminomethyl)pentan-3-yl]-3-fluoropropane-1-sulfonamide
CID 119981132
N-(2-amino-2-ethylbutyl)-3-fluoropropane-1-sulfonamide
CID 119989710
N-[1-(aminomethyl)cyclopentyl]methanesulfonamide
CID 28940542
N-(1-amino-3-methylbutan-2-yl)methanesulfonamide
CID 64420288

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide (CID 61123188) is N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide is CCC(CC)(CN)NS(C)(=O)=O.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide?
The InChIKey is XJTQGDDMWFFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-7(5-2,6-8)9-12(3,10)11/h9H,4-6,8H2,1-3H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide?
N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]methanesulfonamide is sourced from PubChem (CID 61123188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).