5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine

C14H29NO2S2 — CID 105112949

IUPAC5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)CC1CCSCC1
InChIInChI=1S/C14H29NO2S2/c1-3-8-15-14(5-4-11-19(2,16)17)12-13-6-9-18-10-7-13/h13-15H,3-12H2,1-2H3
InChIKeyMUKAXNMTTTZBJL-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.71
Rot. Bonds9

About 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine

5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine (PubChem CID 105112949) has the molecular formula C14H29NO2S2 and a molecular weight of 307.53 g/mol. Its IUPAC name is 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
PubChem CID105112949
Molecular FormulaC14H29NO2S2
Molecular Weight307.53 g/mol
Exact Mass307.16
IUPAC Name5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine
SMILESCCCNC(CCCS(C)(=O)=O)CC1CCSCC1
InChIInChI=1S/C14H29NO2S2/c1-3-8-15-14(5-4-11-19(2,16)17)12-13-6-9-18-10-7-13/h13-15H,3-12H2,1-2H3
InChIKeyMUKAXNMTTTZBJL-UHFFFAOYSA-N
XLogP2.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dioxolan-2-yl)-5-methylsulfonyl-N-propylpentan-2-amine
CID 103546496
1-cyclobutyl-N-ethyl-5-methylsulfonylpentan-2-amine
CID 103168351
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
5-methylsulfonyl-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128638
1-(3-methylcyclopentyl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 65415614
1-cyclooctyl-4-methylsulfonyl-N-propylbutan-1-amine
CID 80610576
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
CID 105156823
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
The IUPAC name of 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine (CID 105112949) is 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine.
What is the SMILES notation for 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
The canonical SMILES for 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine is CCCNC(CCCS(C)(=O)=O)CC1CCSCC1.
What is the InChIKey of 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
The InChIKey is MUKAXNMTTTZBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S2/c1-3-8-15-14(5-4-11-19(2,16)17)12-13-6-9-18-10-7-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine?
5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine has a molecular weight of 307.53 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-N-propyl-1-(thian-4-yl)pentan-2-amine is sourced from PubChem (CID 105112949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).