N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide

C11H26N2O2S — CID 83156501

IUPACN-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)CCCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-10(2)7-6-8-12-9-11(3,4)13-16(5,14)15/h10,12-13H,6-9H2,1-5H3
InChIKeyDNMPLCYGHDIRRT-UHFFFAOYSA-N
MW250.41 g/mol
LogP1.34
Rot. Bonds8

About N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide (PubChem CID 83156501) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
PubChem CID83156501
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)CCCNCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-10(2)7-6-8-12-9-11(3,4)13-16(5,14)15/h10,12-13H,6-9H2,1-5H3
InChIKeyDNMPLCYGHDIRRT-UHFFFAOYSA-N
XLogP1.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 51.34
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-[1-(3-hydroxypropylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63860393
4-[[2-(methanesulfonamido)-2-methylpropyl]amino]-N-methylbutanamide
CID 63891851
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132
N-[1-[3-(2-methoxyethoxy)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 103409513
1-[2-(methanesulfonamido)-2-methylpropyl]-2-methyl-3-(7-methyloctyl)guanidine;hydroiodide
CID 111782379
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
N-[2-methyl-1-(4-phenylbutylamino)propan-2-yl]methanesulfonamide
CID 114333365
N-[1-(2-ethoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858634
N-[1-[2-(diethylamino)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63860753
N-[1-(2-butoxyethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63859852
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
N-[2-methyl-1-(1-methylsulfonylpropan-2-ylamino)propan-2-yl]methanesulfonamide
CID 64630784

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide (CID 83156501) is N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide is CC(C)CCCNCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide?
The InChIKey is DNMPLCYGHDIRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2)7-6-8-12-9-11(3,4)13-16(5,14)15/h10,12-13H,6-9H2,1-5H3.
What are the key properties of N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide has a molecular weight of 250.41 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 83156501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).