2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine

C11H19NO2S2 — CID 106513122

IUPAC2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)S(=O)(=O)C(C)CNCc1cccs1
InChIInChI=1S/C11H19NO2S2/c1-9(2)16(13,14)10(3)7-12-8-11-5-4-6-15-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyOFPOOKNKSMEDBA-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.05
Rot. Bonds6

About 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine

2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 106513122) has the molecular formula C11H19NO2S2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID106513122
Molecular FormulaC11H19NO2S2
Molecular Weight261.41 g/mol
Exact Mass261.09
IUPAC Name2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCC(C)S(=O)(=O)C(C)CNCc1cccs1
InChIInChI=1S/C11H19NO2S2/c1-9(2)16(13,14)10(3)7-12-8-11-5-4-6-15-11/h4-6,9-10,12H,7-8H2,1-3H3
InChIKeyOFPOOKNKSMEDBA-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106512291
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 107757818
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
2-N-methyl-2-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62558151
2-methyl-3-(thiophen-2-ylmethylamino)propanamide
CID 43312177
2-(oxolan-2-ylmethylsulfonyl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 106513593
3-methyl-2-[(thiophen-2-ylmethylamino)methyl]butan-1-ol
CID 115252017
2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 79494883
2-(2-methylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62567464
2-N-methyl-2-N-propyl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568611
2-(3-methylbutylsulfonyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 107757782

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 106513122) is 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine is CC(C)S(=O)(=O)C(C)CNCc1cccs1.
What is the InChIKey of 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is OFPOOKNKSMEDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S2/c1-9(2)16(13,14)10(3)7-12-8-11-5-4-6-15-11/h4-6,9-10,12H,7-8H2,1-3H3.
What are the key properties of 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine?
2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106513122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).