(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine

C10H21NS2 — CID 10680410

IUPAC(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)CC1SCCCS1
InChIInChI=1S/C10H21NS2/c1-8(2)6-9(11)7-10-12-4-3-5-13-10/h8-10H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyHNWOMZZNLHTMTO-VIFPVBQESA-N
MW219.42 g/mol
LogP2.95
Rot. Bonds4

About (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine

(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine (PubChem CID 10680410) has the molecular formula C10H21NS2 and a molecular weight of 219.42 g/mol. Its IUPAC name is (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine
PubChem CID10680410
Molecular FormulaC10H21NS2
Molecular Weight219.42 g/mol
Exact Mass219.11
IUPAC Name(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine
SMILESCC(C)C[C@H](N)CC1SCCCS1
InChIInChI=1S/C10H21NS2/c1-8(2)6-9(11)7-10-12-4-3-5-13-10/h8-10H,3-7,11H2,1-2H3/t9-/m0/s1
InChIKeyHNWOMZZNLHTMTO-VIFPVBQESA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine?
The IUPAC name of (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine (CID 10680410) is (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine is CC(C)C[C@H](N)CC1SCCCS1.
What is the InChIKey of (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine?
The InChIKey is HNWOMZZNLHTMTO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NS2/c1-8(2)6-9(11)7-10-12-4-3-5-13-10/h8-10H,3-7,11H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine?
(2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine has a molecular weight of 219.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3-dithian-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 10680410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).