N-(2-propylsulfonylethyl)thian-4-amine

C10H21NO2S2 — CID 106724514

IUPACN-(2-propylsulfonylethyl)thian-4-amine
SMILESCCCS(=O)(=O)CCNC1CCSCC1
InChIInChI=1S/C10H21NO2S2/c1-2-8-15(12,13)9-5-11-10-3-6-14-7-4-10/h10-11H,2-9H2,1H3
InChIKeyWCIQUVUTCBRUOT-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.30
Rot. Bonds6

About N-(2-propylsulfonylethyl)thian-4-amine

N-(2-propylsulfonylethyl)thian-4-amine (PubChem CID 106724514) has the molecular formula C10H21NO2S2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-(2-propylsulfonylethyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-propylsulfonylethyl)thian-4-amine
PubChem CID106724514
Molecular FormulaC10H21NO2S2
Molecular Weight251.42 g/mol
Exact Mass251.10
IUPAC NameN-(2-propylsulfonylethyl)thian-4-amine
SMILESCCCS(=O)(=O)CCNC1CCSCC1
InChIInChI=1S/C10H21NO2S2/c1-2-8-15(12,13)9-5-11-10-3-6-14-7-4-10/h10-11H,2-9H2,1H3
InChIKeyWCIQUVUTCBRUOT-UHFFFAOYSA-N
XLogP1.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 103830760
2-propylsulfonyl-N-(thian-4-ylmethyl)ethanamine
CID 106724468
N-(3-methylsulfonylpropyl)thian-4-amine
CID 61020529
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
4-(2-ethylsulfonylethylamino)cyclohexan-1-ol
CID 103710266
9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106723889
2-methyl-N-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106723715
N-propyl-3-(thian-4-ylamino)propanamide
CID 61060687
N-(3-butylsulfonylpropyl)cyclopentanamine
CID 106512483
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
[2-(2-propylsulfonylethylamino)cyclopentyl]methanol
CID 106360883
1-propylsulfonylpropane
CID 11709

Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfonylethyl)thian-4-amine?
The IUPAC name of N-(2-propylsulfonylethyl)thian-4-amine (CID 106724514) is N-(2-propylsulfonylethyl)thian-4-amine.
What is the SMILES notation for N-(2-propylsulfonylethyl)thian-4-amine?
The canonical SMILES for N-(2-propylsulfonylethyl)thian-4-amine is CCCS(=O)(=O)CCNC1CCSCC1.
What is the InChIKey of N-(2-propylsulfonylethyl)thian-4-amine?
The InChIKey is WCIQUVUTCBRUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S2/c1-2-8-15(12,13)9-5-11-10-3-6-14-7-4-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(2-propylsulfonylethyl)thian-4-amine?
N-(2-propylsulfonylethyl)thian-4-amine has a molecular weight of 251.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfonylethyl)thian-4-amine is sourced from PubChem (CID 106724514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).