N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine

C10H23N3S — CID 164863385

IUPACN-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
SMILESCC(CC(C)(C)NS)N1CCNCC1
InChIInChI=1S/C10H23N3S/c1-9(8-10(2,3)12-14)13-6-4-11-5-7-13/h9,11-12,14H,4-8H2,1-3H3
InChIKeyDPDPRVSYFDYSSW-UHFFFAOYSA-N
MW217.38 g/mol
LogP0.88
Rot. Bonds4

About N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine

N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine (PubChem CID 164863385) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
PubChem CID164863385
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC NameN-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
SMILESCC(CC(C)(C)NS)N1CCNCC1
InChIInChI=1S/C10H23N3S/c1-9(8-10(2,3)12-14)13-6-4-11-5-7-13/h9,11-12,14H,4-8H2,1-3H3
InChIKeyDPDPRVSYFDYSSW-UHFFFAOYSA-N
XLogP0.88
TPSA27.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
N,N,2,2-tetramethyl-5-piperazin-1-ylhexan-3-amine
CID 116913945
1-(1-iodopropan-2-yl)piperazine
CID 69349965
N,2,2-trimethyl-N-(2-piperazin-1-ylpropyl)propan-1-amine
CID 115255725
1-[(2S)-1-(2-methoxypropan-2-yloxy)propan-2-yl]-1,4,7,10-tetrazacyclododecane
CID 166723382
1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
4-methyl-N-(3-piperazin-1-ylbutyl)pentan-1-amine
CID 115255515
N,N-dimethyl-5-piperazin-1-ylhexan-3-amine
CID 116913942
3-piperazin-1-yl-N-(2,2,3-trimethylbutyl)butanamide
CID 115189179
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine?
The IUPAC name of N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine (CID 164863385) is N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine.
What is the SMILES notation for N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine?
The canonical SMILES for N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine is CC(CC(C)(C)NS)N1CCNCC1.
What is the InChIKey of N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine?
The InChIKey is DPDPRVSYFDYSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-9(8-10(2,3)12-14)13-6-4-11-5-7-13/h9,11-12,14H,4-8H2,1-3H3.
What are the key properties of N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine?
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine has a molecular weight of 217.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine is sourced from PubChem (CID 164863385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).