1-(thiolan-2-yl)hexan-1-amine

C10H21NS — CID 80622704

IUPAC1-(thiolan-2-yl)hexan-1-amine
SMILESCCCCCC(N)C1CCCS1
InChIInChI=1S/C10H21NS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8,11H2,1H3
InChIKeyIJKLTCSFDPVXAC-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.79
Rot. Bonds5

About 1-(thiolan-2-yl)hexan-1-amine

1-(thiolan-2-yl)hexan-1-amine (PubChem CID 80622704) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(thiolan-2-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(thiolan-2-yl)hexan-1-amine
PubChem CID80622704
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(thiolan-2-yl)hexan-1-amine
SMILESCCCCCC(N)C1CCCS1
InChIInChI=1S/C10H21NS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8,11H2,1H3
InChIKeyIJKLTCSFDPVXAC-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-(thiolan-2-yl)hexan-1-amine
CID 83160752
3-ethyl-1-(thiolan-2-yl)heptan-1-amine
CID 80622703
4-methyl-1-(thiolan-2-yl)pentan-1-amine
CID 80622583
4-methoxy-1-(thian-2-yl)butan-1-amine
CID 114856664
2-octan-4-ylthiolane
CID 163811177
1-(thian-2-yl)nonylhydrazine
CID 105255737
1-cyclobutylnonan-1-amine
CID 64986616
3-cyclopropyl-1-(thian-2-yl)propan-1-amine
CID 80626885
1-cycloheptylheptan-1-amine
CID 65399314
2-nonadecan-9-yl-1,3-dithiane
CID 134218690
1-(thiolan-3-yl)octan-1-amine
CID 105124991
1-(thiolan-3-yl)heptan-1-amine
CID 105126325

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-yl)hexan-1-amine?
The IUPAC name of 1-(thiolan-2-yl)hexan-1-amine (CID 80622704) is 1-(thiolan-2-yl)hexan-1-amine.
What is the SMILES notation for 1-(thiolan-2-yl)hexan-1-amine?
The canonical SMILES for 1-(thiolan-2-yl)hexan-1-amine is CCCCCC(N)C1CCCS1.
What is the InChIKey of 1-(thiolan-2-yl)hexan-1-amine?
The InChIKey is IJKLTCSFDPVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-2-3-4-6-9(11)10-7-5-8-12-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-(thiolan-2-yl)hexan-1-amine?
1-(thiolan-2-yl)hexan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)hexan-1-amine is sourced from PubChem (CID 80622704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).