(1R)-1-[(hexylamino)sulfanylamino]ethanol

C8H20N2OS — CID 154973613

IUPAC(1R)-1-[(hexylamino)sulfanylamino]ethanol
SMILESCCCCCCNSN[C@@H](C)O
InChIInChI=1S/C8H20N2OS/c1-3-4-5-6-7-9-12-10-8(2)11/h8-11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyNBEHEVFFXILEKJ-MRVPVSSYSA-N
MW192.33 g/mol
LogP1.65
Rot. Bonds8

About (1R)-1-[(hexylamino)sulfanylamino]ethanol

(1R)-1-[(hexylamino)sulfanylamino]ethanol (PubChem CID 154973613) has the molecular formula C8H20N2OS and a molecular weight of 192.33 g/mol. Its IUPAC name is (1R)-1-[(hexylamino)sulfanylamino]ethanol.

Molecular Properties

Compound Name(1R)-1-[(hexylamino)sulfanylamino]ethanol
PubChem CID154973613
Molecular FormulaC8H20N2OS
Molecular Weight192.33 g/mol
Exact Mass192.13
IUPAC Name(1R)-1-[(hexylamino)sulfanylamino]ethanol
SMILESCCCCCCNSN[C@@H](C)O
InChIInChI=1S/C8H20N2OS/c1-3-4-5-6-7-9-12-10-8(2)11/h8-11H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyNBEHEVFFXILEKJ-MRVPVSSYSA-N
XLogP1.65
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxysulfanylhexan-1-amine
CID 89110477
1-(hexylamino)propan-1-ol
CID 57070645
octane;propan-2-ol
CID 160746796
N-methylsulfanylhexan-1-amine
CID 88734543
1-(hexadecylamino)docosan-1-ol
CID 88518088
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(octylamino)dodecan-1-ol
CID 88518081
N-propylsulfanylnonan-1-amine
CID 150399571
(hexadecylamino)methanediol
CID 139772673
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
heptane;propan-2-ol;sulfuric acid
CID 87329461

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(hexylamino)sulfanylamino]ethanol?
The IUPAC name of (1R)-1-[(hexylamino)sulfanylamino]ethanol (CID 154973613) is (1R)-1-[(hexylamino)sulfanylamino]ethanol.
What is the SMILES notation for (1R)-1-[(hexylamino)sulfanylamino]ethanol?
The canonical SMILES for (1R)-1-[(hexylamino)sulfanylamino]ethanol is CCCCCCNSN[C@@H](C)O.
What is the InChIKey of (1R)-1-[(hexylamino)sulfanylamino]ethanol?
The InChIKey is NBEHEVFFXILEKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H20N2OS/c1-3-4-5-6-7-9-12-10-8(2)11/h8-11H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[(hexylamino)sulfanylamino]ethanol?
(1R)-1-[(hexylamino)sulfanylamino]ethanol has a molecular weight of 192.33 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(hexylamino)sulfanylamino]ethanol is sourced from PubChem (CID 154973613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).