N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide

C14H32N2O2S — CID 63858933

IUPACN-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide
SMILESCCCCCCCC(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C14H32N2O2S/c1-6-7-8-9-10-11-13(2)15-12-14(3,4)16-19(5,17)18/h13,15-16H,6-12H2,1-5H3
InChIKeyFDQMVGQNNWXYSJ-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.65
Rot. Bonds11

About N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 63858933) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide
PubChem CID63858933
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC NameN-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide
SMILESCCCCCCCC(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C14H32N2O2S/c1-6-7-8-9-10-11-13(2)15-12-14(3,4)16-19(5,17)18/h13,15-16H,6-12H2,1-5H3
InChIKeyFDQMVGQNNWXYSJ-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
CID 64630784
2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
2,2-dimethyl-3-(octan-2-ylamino)propanoic acid
CID 79623645
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
2-(pentadecan-2-ylamino)ethanesulfonic acid
CID 12698311
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide (CID 63858933) is N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide is CCCCCCCC(C)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is FDQMVGQNNWXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-6-7-8-9-10-11-13(2)15-12-14(3,4)16-19(5,17)18/h13,15-16H,6-12H2,1-5H3.
What are the key properties of N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 292.49 g/mol, XLogP of 2.65, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(nonan-2-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63858933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).