3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine

C10H22N2S — CID 43530808

IUPAC3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine
SMILESCCC(CCN)N(C)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-3-9(4-6-11)12(2)10-5-7-13-8-10/h9-10H,3-8,11H2,1-2H3
InChIKeyVWGWKTBHABNNHO-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds5

About 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine

3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine (PubChem CID 43530808) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine
PubChem CID43530808
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine
SMILESCCC(CCN)N(C)C1CCSC1
InChIInChI=1S/C10H22N2S/c1-3-9(4-6-11)12(2)10-5-7-13-8-10/h9-10H,3-8,11H2,1-2H3
InChIKeyVWGWKTBHABNNHO-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-(Bis-ethylsulfanyl-methyl)-pyrrolidine
CID 11041899
N-[2-(propylthio)ethyl]piperidin-4-amine
CID 56722598
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CID 43216125
4,4,4-trifluoro-3-N-methyl-3-N-(thiolan-3-yl)butane-1,3-diamine
CID 43753139
(3-Amino-2,2-difluoropropyl)(methyl)[(thiolan-2-yl)methyl]amine
CID 165466981
2,2-Difluoro-3-{2-[(methylsulfanyl)methyl]pyrrolidin-1-yl}propan-1-amine
CID 165467572
2-[Bis(ethylsulfanyl)methyl]pyrrolidine
CID 14110351
N-butylthiolan-3-amine
CID 20436219
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
8-Methyl-1-thia-4,8-diazaspiro[4.5]decane
CID 50853150
2-[[(2R)-1-methylpyrrolidin-2-yl]methylsulfanyl]ethanamine
CID 53979036

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine (CID 43530808) is 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine is CCC(CCN)N(C)C1CCSC1.
What is the InChIKey of 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine?
The InChIKey is VWGWKTBHABNNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-3-9(4-6-11)12(2)10-5-7-13-8-10/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine?
3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(thiolan-3-yl)pentane-1,3-diamine is sourced from PubChem (CID 43530808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).