2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine

C13H21NO3S2 — CID 106513593

IUPAC2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H21NO3S2/c1-11(8-14-9-13-5-3-7-18-13)19(15,16)10-12-4-2-6-17-12/h3,5,7,11-12,14H,2,4,6,8-10H2,1H3
InChIKeyNOYFQFRPMMGXON-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.82
Rot. Bonds7

About 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine

2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 106513593) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID106513593
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC Name2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(CNCc1cccs1)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H21NO3S2/c1-11(8-14-9-13-5-3-7-18-13)19(15,16)10-12-4-2-6-17-12/h3,5,7,11-12,14H,2,4,6,8-10H2,1H3
InChIKeyNOYFQFRPMMGXON-UHFFFAOYSA-N
XLogP1.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513122
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 107757818
2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106512291
N-(oxolan-2-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 63291889
2-(oxolan-2-ylmethoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 62572494
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
1-(oxolan-2-ylmethyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2956318
1-[[(2S)-oxolan-2-yl]methyl]-3-(thiophen-2-ylmethyl)thiourea
CID 970924
N-methyl-4-(oxolan-2-ylmethylsulfonyl)pentan-2-amine
CID 106496026
2-butylsulfonyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 106512524
N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
CID 106513586

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine (CID 106513593) is 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine is CC(CNCc1cccs1)S(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is NOYFQFRPMMGXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-11(8-14-9-13-5-3-7-18-13)19(15,16)10-12-4-2-6-17-12/h3,5,7,11-12,14H,2,4,6,8-10H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine?
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 303.45 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106513593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).