N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide

C12H22N2O2S2 — CID 55256177

IUPACN-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide
SMILESCCC(NCC(C)(C)NS(C)(=O)=O)c1cccs1
InChIInChI=1S/C12H22N2O2S2/c1-5-10(11-7-6-8-17-11)13-9-12(2,3)14-18(4,15)16/h6-8,10,13-14H,5,9H2,1-4H3
InChIKeyHNOUWVRFZHTWRO-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.12
Rot. Bonds7

About N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide (PubChem CID 55256177) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide
PubChem CID55256177
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC NameN-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide
SMILESCCC(NCC(C)(C)NS(C)(=O)=O)c1cccs1
InChIInChI=1S/C12H22N2O2S2/c1-5-10(11-7-6-8-17-11)13-9-12(2,3)14-18(4,15)16/h6-8,10,13-14H,5,9H2,1-4H3
InChIKeyHNOUWVRFZHTWRO-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-1-(1-thiophen-2-ylethylamino)propan-2-yl]methanesulfonamide
CID 63865129
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
2-methyl-2-phenyl-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 54886658
N-(1-thiophen-2-ylpropyl)ethanesulfonamide
CID 47372817
2-[1-(sulfamoylamino)propyl]thiophene
CID 112686147
3-methyl-N-(1-thiophen-2-ylpropyl)but-2-en-1-amine
CID 104578036
1-pyrrolidin-1-yl-2-(1-thiophen-2-ylpropylamino)ethanone
CID 54964322
2-methyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418517
2,3-dichloro-N-(1-thiophen-2-ylpropyl)prop-2-en-1-amine
CID 79167926
methyl 3-(1-thiophen-2-ylpropylamino)propanoate
CID 43139675
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
CID 115894417

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide (CID 55256177) is N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide is CCC(NCC(C)(C)NS(C)(=O)=O)c1cccs1.
What is the InChIKey of N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide?
The InChIKey is HNOUWVRFZHTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c1-5-10(11-7-6-8-17-11)13-9-12(2,3)14-18(4,15)16/h6-8,10,13-14H,5,9H2,1-4H3.
What are the key properties of N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide has a molecular weight of 290.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-thiophen-2-ylpropylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 55256177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).