N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide

C14H28N2O2S — CID 103894738

IUPACN-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
SMILESCC12CCC(C1)C(C)(C)C2NCCCNS(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-13(2)11-6-7-14(3,10-11)12(13)15-8-5-9-16-19(4,17)18/h11-12,15-16H,5-10H2,1-4H3
InChIKeyYHJCNTDHIYZQQV-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.73
Rot. Bonds6

About N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide

N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide (PubChem CID 103894738) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
PubChem CID103894738
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide
SMILESCC12CCC(C1)C(C)(C)C2NCCCNS(C)(=O)=O
InChIInChI=1S/C14H28N2O2S/c1-13(2)11-6-7-14(3,10-11)12(13)15-8-5-9-16-19(4,17)18/h11-12,15-16H,5-10H2,1-4H3
InChIKeyYHJCNTDHIYZQQV-UHFFFAOYSA-N
XLogP1.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide with MolForge

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Related Compounds

N-(2-tert-butylsulfonylethyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103902212
N,N-dimethyl-2-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanesulfonamide
CID 106335983
methyl 4-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]butanoate
CID 115400634
N'-methyl-N'-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 106040859
N',N'-di(propan-2-yl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]ethane-1,2-diamine
CID 115400247
(1R,4S)-1,3,3-trimethyl-N-(3-propan-2-yloxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 113302687
2,2-dimethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pentanenitrile
CID 65253736
1-[3-(methanesulfonamido)propyl]-5-methyl-N-[(1R,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
CID 58695745
(1R,4S)-1,3,3-trimethyl-N-[(4-methylcyclohexyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115400799
(1R,4S)-N-[2-(cyclopropylmethoxy)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113302658
(1R,4S)-1,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 115400230
(1S,2S,4S)-N,1,3,3-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 98136525

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide (CID 103894738) is N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide is CC12CCC(C1)C(C)(C)C2NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide?
The InChIKey is YHJCNTDHIYZQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-13(2)11-6-7-14(3,10-11)12(13)15-8-5-9-16-19(4,17)18/h11-12,15-16H,5-10H2,1-4H3.
What are the key properties of N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide?
N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide has a molecular weight of 288.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 103894738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).