N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine

C12H25NS — CID 163258271

IUPACN-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine
SMILESCCCN(CC)CC1CCCSCC1
InChIInChI=1S/C12H25NS/c1-3-8-13(4-2)11-12-6-5-9-14-10-7-12/h12H,3-11H2,1-2H3
InChIKeyAMSCTACFPFPPMK-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.25
Rot. Bonds5

About N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine

N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine (PubChem CID 163258271) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine
PubChem CID163258271
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine
SMILESCCCN(CC)CC1CCCSCC1
InChIInChI=1S/C12H25NS/c1-3-8-13(4-2)11-12-6-5-9-14-10-7-12/h12H,3-11H2,1-2H3
InChIKeyAMSCTACFPFPPMK-UHFFFAOYSA-N
XLogP3.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-tert-butylsulfanylcyclopentyl)-N,N-dimethylmethanamine
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N,N,2-trimethyl-1-methylsulfanylhexan-1-amine
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4,7-Dimethyl-7-propan-2-yl-1,4-thiazepane
CID 123309568
4-Methyl-2-(1-methylazepan-3-yl)thiomorpholine
CID 123364400
4-(3-Methylhexyl)thiomorpholine
CID 123685025
N-butyl-1-ethylsulfanyl-3-methyl-N-propylhexan-1-amine
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2,4,6-Triethyl-3,5,7-trimethyl-1,3-thiazepane
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CID 130217507

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine?
The IUPAC name of N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine (CID 163258271) is N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine is CCCN(CC)CC1CCCSCC1.
What is the InChIKey of N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine?
The InChIKey is AMSCTACFPFPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-3-8-13(4-2)11-12-6-5-9-14-10-7-12/h12H,3-11H2,1-2H3.
What are the key properties of N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine?
N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(thiepan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 163258271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).